Methods of producing compounds and combinatorial compound libraries, the compounds and libraries produced via the methods are provided, and methods of using the libraries to identify compounds having a desired property, such as a desired biological activity and the compounds identified using these methods are provided.
C12N 15/10 - Processes for the isolation, preparation or purification of DNA or RNA
C40B 40/06 - Libraries containing nucleotides or polynucleotides, or derivatives thereof
C40B 50/04 - Methods of creating libraries, e.g. combinatorial synthesis using dynamic combinatorial chemistry techniques
C40B 50/06 - Biochemical methods, e.g. using enzymes or whole viable microorganisms
C40B 50/10 - Liquid phase synthesis, i.e. wherein all library building blocks are in liquid phase or in solution during library creationParticular methods of cleavage from the liquid support involving encoding steps
C40B 80/00 - Linkers or spacers specially adapted for combinatorial chemistry or libraries, e.g. traceless linkers or safety-catch linkers
2.
HDAC INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF
Disclosed are a compound as shown in formula (I), a pharmaceutical composition comprising the compound of formula (I), and the use of the compound and pharmaceutical composition in the preparation of an HDAC inhibitor drug. The compound or pharmaceutical composition thereof can be used in the preparation of a drug for treating cell proliferative diseases, autoimmune diseases, inflammation, neurodegenerative diseases or viral diseases.
C07D 333/70 - Carbon atoms having three bonds to hetero atoms with at the most one bond to halogen attached in position 2
C07D 307/85 - Carbon atoms having three bonds to hetero atoms with at the most one bond to halogen attached in position 2
C07D 277/68 - Benzothiazoles with hetero atoms or with carbon atoms having three bonds to hetero atoms with at the most one bond to halogen, e.g. ester or nitrile radicals, directly attached in position 2
C07D 263/58 - BenzoxazolesHydrogenated benzoxazoles with hetero atoms or with carbon atoms having three bonds to hetero atoms with at the most one bond to halogen, e.g. ester or nitrile radicals, directly attached in position 2
A61K 31/428 - Thiazoles condensed with carbocyclic rings
A61K 31/423 - Oxazoles condensed with carbocyclic rings
A61K 31/416 - 1,2-Diazoles condensed with carbocyclic ring systems, e.g. indazole
A61P 25/28 - Drugs for disorders of the nervous system for treating neurodegenerative disorders of the central nervous system, e.g. nootropic agents, cognition enhancers, drugs for treating Alzheimer's disease or other forms of dementia
Provided are a compound of formula (I) having ROCK-inhibiting activity, a preparation method for the compound, and uses in preparing a medicament for treating ROCK activity abnormality-related diseases.
C07D 217/02 - Heterocyclic compounds containing isoquinoline or hydrogenated isoquinoline ring systems with only hydrogen atoms or radicals containing only carbon and hydrogen atoms, directly attached to carbon atoms of the nitrogen-containing ringAlkylene-bis-isoquinolines
C07D 217/22 - Heterocyclic compounds containing isoquinoline or hydrogenated isoquinoline ring systems with hetero atoms or with carbon atoms having three bonds to hetero atoms with at the most one bond to halogen, e.g. ester or nitrile radicals, directly attached to carbon atoms of the nitrogen-containing ring
A61K 31/472 - Non-condensed isoquinolines, e.g. papaverine
Methods of producing compounds and combinatorial compound libraries, the compounds and libraries produced via the methods are provided, and methods of using the libraries to identify compounds having a desired property, such as a desired biological activity and the compounds identified using these methods are provided.
A ROCK inhibitor represented by formula (I) and a preparation method and application thereof. An experiment has demonstrated that the compound has good ROCK-inhibiting activity, and can be effectively used in treating a disease related to abnormal ROCK activity.
C07D 403/12 - Heterocyclic compounds containing two or more hetero rings, having nitrogen atoms as the only ring hetero atoms, not provided for by group containing two hetero rings linked by a chain containing hetero atoms as chain links
C07D 409/14 - Heterocyclic compounds containing two or more hetero rings, at least one ring having sulfur atoms as the only ring hetero atoms containing three or more hetero rings
A61K 31/38 - Heterocyclic compounds having sulfur as a ring hetero atom
A61K 31/395 - Heterocyclic compounds having nitrogen as a ring hetero atom, e.g. guanethidine or rifamycins
A61P 9/00 - Drugs for disorders of the cardiovascular system
Disclosed in the present invention is the compound as shown in formula I, or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, or a crystal form thereof, or a solvate thereof, or an isotope thereof. The compound in the present invention exhibits a good activity as a histone deacetylase inhibitor, has a significant inhibitory effect on cancer cells, and provides a new drug selection for clinically treating diseases related to abnormal histone deacetylase activity.
C07D 401/14 - Heterocyclic compounds containing two or more hetero rings, having nitrogen atoms as the only ring hetero atoms, at least one ring being a six-membered ring with only one nitrogen atom containing three or more hetero rings
Disclosed is a compound represented by formula I, a stereoisomer thereof, a pharmaceutically acceptable salt thereof, a crystal form thereof, a solvate thereof, or an isotopologue thereof. The present invention also provides a preparation method of the compound and use of the compound in preparing drugs for inhibiting ROCK.
C07D 519/00 - Heterocyclic compounds containing more than one system of two or more relevant hetero rings condensed among themselves or condensed with a common carbocyclic ring system not provided for in groups or
A61P 9/00 - Drugs for disorders of the cardiovascular system
Provided is a method for solid-phase synthesis of a DNA-encoded chemical library, the method comprising the steps of: a) reacting a solid-phase carrier G-1 with a linker molecule L-1 to prepare L-G-1; b) reacting DNA with a linker molecule L-0 to prepare L-2; c) reacting L-G-1 with L-2 to prepare L-G-2; d) removing a protecting group from L-G-2 to obtain L-G-2-1; e) reacting with a building block and performing DNA encoding; f) removing the solid-phase carrier to obtain a DNA-encoded chemical library.
C40B 40/06 - Libraries containing nucleotides or polynucleotides, or derivatives thereof
C40B 20/04 - Identifying library members by means of a tag, label, or other readable or detectable entity associated with the library members, e.g. decoding processes
C40B 70/00 - Tags or labels specially adapted for combinatorial chemistry or libraries, e.g. fluorescent tags or barcodes
C40B 50/04 - Methods of creating libraries, e.g. combinatorial synthesis using dynamic combinatorial chemistry techniques
C40B 50/16 - Solid phase synthesis, i.e. wherein one or more library building blocks are bound to a solid support during library creationParticular methods of cleavage from the solid support involving encoding steps
9.
PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF
Disclosed are a pyrrole amide compound as represented in formula I, or pharmaceutically acceptable salts, polymorphs, hydrates, or solvate compounds. R1 is chosen from hydrogen, hydroxyl, the cyano group, halogen, carboxyl, etc. R2 and R3 are chosen from hydrogen, hydroxyl, the cyano group, halogen, carboxyl, and alkyl of C1 to C6, etc., R2 and R3 being same or different. R4 are chosen from hydroxyl, the sulfhydryl group, amino-substituted phenyl, or the epoxy ketone group. The new compound as represented in formula I of the present invention expresses good deacetylase inhibitory activity and has the potential for preventing and/or treating diseases caused by histone deacetylase activity abnormality. Additionally, the new compound of the present invention has good inhibitory activity against different liver cancer cells, and has good prospect for clinical application.
A61K 31/40 - Heterocyclic compounds having nitrogen as a ring hetero atom, e.g. guanethidine or rifamycins having five-membered rings with one nitrogen as the only ring hetero atom, e.g. sulpiride, succinimide, tolmetin, buflomedil
A61K 31/5377 - 1,4-Oxazines, e.g. morpholine not condensed and containing further heterocyclic rings, e.g. timolol
Disclosed are a pyrrole amide compound as represented in formula I, polymorphs thereof, or pharmaceutically acceptable salts, hydrates, or solvate compounds. The present invention has good deacetylase inhibitory activity. Additionally, the preparation method for the compound involves few steps and is easy to operate, safe, and environmentally friendly, produces high yields, and is suitable for industrial application.
A61K 31/40 - Heterocyclic compounds having nitrogen as a ring hetero atom, e.g. guanethidine or rifamycins having five-membered rings with one nitrogen as the only ring hetero atom, e.g. sulpiride, succinimide, tolmetin, buflomedil
A61P 25/00 - Drugs for disorders of the nervous system
Disclosed are a pyrrole amide compound as represented in formula I, or pharmaceutically acceptable salts, polymorphs, hydrates, or solvate compounds. R1 is chosen from (methylamino) methyl, (methylamino) ethyl, etc. R2 and R3 are chosen from hydrogen, hydroxyl, the cyano group, halogen, carboxyl, and alkyl of C1 to C6, etc., R2 and R3 being same or different. R4 are chosen from hydroxyl, the sulfhydryl group, amino-substituted phenyl, or the epoxy ketone group. The new compound as represented in formula I of the present invention expresses good deacetylase inhibitory activity and has the potential for preventing and/or treating diseases caused by histone deacetylase activity abnormality. Additionally, the new compound of the present invention has good inhibitory activity against different liver cancer cells, and has good prospect for clinical application.
A61K 31/40 - Heterocyclic compounds having nitrogen as a ring hetero atom, e.g. guanethidine or rifamycins having five-membered rings with one nitrogen as the only ring hetero atom, e.g. sulpiride, succinimide, tolmetin, buflomedil
A61K 31/5377 - 1,4-Oxazines, e.g. morpholine not condensed and containing further heterocyclic rings, e.g. timolol
A61K 31/496 - Non-condensed piperazines containing further heterocyclic rings, e.g. rifampin, thiothixene or sparfloxacin
An intermediate compound shown in formula I for preparing a pyrrole amide compound. The pyrrole amide compound has a good histone deacetylase inhibitory activity. The specific definition of the groups in formula I is shown in the description.
C07D 405/12 - Heterocyclic compounds containing both one or more hetero rings having oxygen atoms as the only ring hetero atoms, and one or more rings having nitrogen as the only ring hetero atom containing two hetero rings linked by a chain containing hetero atoms as chain links
C07D 405/14 - Heterocyclic compounds containing both one or more hetero rings having oxygen atoms as the only ring hetero atoms, and one or more rings having nitrogen as the only ring hetero atom containing three or more hetero rings
Disclosed is a drug target capturing method, comprising the following steps: (1) preparing the raw materials: taking a compound, and DNA or RNA or one party of another exceptional affinity material; (2) bonding: covalently bonding the compound with the DNA or RNA or one party of another exceptional affinity material, to obtain a labeled compound; (3) delivery: with the gene delivery method, delivering the labeled compound obtained in step (2) to a cell; (4) target capturing: disrupting the cell in step (3), and capturing the DNA or RNA in step (1) with immobilized complementary DNA or RNA, or capturing the one party of the affinity material by using the other party of an immobilized exceptional affinity material, to enrich the target; (5) target identification; and (6) target determining.
Provided in the present invention are a compound administration precursor for use in a permeable membrane and a medicament carrier preparation based on the precursor. The compound administration precursor and the medicament carrier preparation prepared in the present invention are capable of increasing effectively the membrane permeability of a low-membrane permeability compound and provide a novel choice of medicament for clinical use.
C07H 21/02 - Compounds containing two or more mononucleotide units having separate phosphate or polyphosphate groups linked by saccharide radicals of nucleoside groups, e.g. nucleic acids with ribosyl as saccharide radical
C07H 21/04 - Compounds containing two or more mononucleotide units having separate phosphate or polyphosphate groups linked by saccharide radicals of nucleoside groups, e.g. nucleic acids with deoxyribosyl as saccharide radical
C07K 17/06 - Peptides being immobilised on, or in, an organic carrier attached to the carrier via a bridging agent
Provided is a method for cell membrane permeation for a compound, comprising the following steps: (1) acquisition of raw materials: the compound and a DNA or an RNA; (2) connection: the compound is connected with either the DNA or the RNA to acquire a molecular conjugate; and, (3) transfer: a gene transfer method is used to transfer the molecular conjugate acquired in step (2) into a cell. Also provided are a molecular conjugate for use in transmembrane transfer and a method for synthesizing the molecular conjugate.
A61K 47/48 - Medicinal preparations characterised by the non-active ingredients used, e.g. carriers, inert additives the non-active ingredient being chemically bound to the active ingredient, e.g. polymer drug conjugates
Provided are compounds as presented in formulas IA and IB or pharmaceutically acceptable salts thereof, the preparation method therefor, and uses thereof, as well as the intermediates of the compounds and the preparation method therefor. The compounds of as presented in formula IA and IB can effectively inhibit the DPP-4 activity, has good selectivity, and can be made into potential new diabetes medicines.
Provided are compounds as presented in formulas IA or IB or pharmaceutically acceptable salts thereof, the preparation method therefor, and uses thereof. Also provided are the intermediates of the compounds and the preparation method therefor. The compounds of the present invention can effectively inhibit DPP-IV activity. Compared to the commercial available medicine, Januvia, compound 1 exhibits strong inhibition against DPP4, but has lower activity inhibition against other DPP family members (DPP2, DPP8, and DPP9). Hence the compound of the present invention can not only effectively inhibit DPP4 from exhibiting medicinal activity, but also lower the activity inhibition against other members of the DPP family, reduce toxic side effect, and have better medicinal safety.
Disclosed is a lead compound synthesis and screening method, comprising the following steps: (1) taking the raw materials: taking i synthetic blocks and (i+2) single-chain DNA fragments; (2) performing synthesis with the combinatorial chemistry method to obtain a library of compounds marked by the single-chain DNA, the original synthetic block being marked by the fluorescent molecular; (3) screening: performing screening on the library of compounds marked by DNA; (4) sequencing: taking the compounds marked by DNA and obtained through screening in Step (3), sequencing the DNA in the compounds marked by DNA, and determining the synthetic block and the reaction process of the compound according to the DNA sequence. Also disclosed are a lead compound synthesis and screening kit and a combinatorial chemistry library. With the method and the kit of the present invention, synthesis and screening can be fast and effectively performed to obtain the target lead compound, and the reaction process is monitored; the operation is easy and simple, and the cost is low.
C40B 40/04 - Libraries containing only organic compounds
C40B 50/04 - Methods of creating libraries, e.g. combinatorial synthesis using dynamic combinatorial chemistry techniques
C40B 20/04 - Identifying library members by means of a tag, label, or other readable or detectable entity associated with the library members, e.g. decoding processes
C40B 70/00 - Tags or labels specially adapted for combinatorial chemistry or libraries, e.g. fluorescent tags or barcodes
19.
METHOD FOR SYNTHESIZING AND SCREENING LEAD COMPOUND AND REAGENT TESTING KIT
A method for synthesizing and screening a lead compound, comprising the following steps: (1) retrieving raw materials: retrieving an i-number of synthetic blocks and an (i+2)-number of single-stranded DNA fragments; (2) synthesizing a compound by using a combinatorial chemistry method, acquiring a library of a single-stranded DNA-marked compound; (3) screening: screening the library of the DNA-marked compound; and, (4) sequencing: retrieving the DNA-marked compound screened in step (3), and sequencing the DNA on the DNA-marked compound, where the synthesis blocks and reaction mechanism of the compound can be determined on the basis of the DNA sequencing. Also disclosed are a synthesis and screening reagent testing kit for the lead compound and a combinatorial chemistry library.
C40B 40/04 - Libraries containing only organic compounds
C40B 50/04 - Methods of creating libraries, e.g. combinatorial synthesis using dynamic combinatorial chemistry techniques
C40B 20/04 - Identifying library members by means of a tag, label, or other readable or detectable entity associated with the library members, e.g. decoding processes
C40B 70/00 - Tags or labels specially adapted for combinatorial chemistry or libraries, e.g. fluorescent tags or barcodes
patents
