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PFI-1,BET溴结构域抑制剂CAS号: 1403764-72-6分子式: C16H17N3O4S 分子量: 347.39IUPAC Name: 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamideSMILES: CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=OInChIKey: TXZPMHLMPKIUGK-UHFFFAOYSA-NInChI: 1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
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BI 2536CAS号: 755038-02-9分子式: C28H39N7O3 分子量: 521.66IUPAC Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamideSMILES: CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)CInChIKey: XQVVPGYIWAGRNI-JOCHJYFZSA-NInChI: See more
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阿帕他隆CAS号: 1044870-39-4分子式: C20H22N2O5 分子量: 370.4IUPAC Name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-oneSMILES: CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2InChIKey: NETXMUIMUZJUTB-UHFFFAOYSA-NInChI: 1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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(+)-JQ1,BET溴结构域抑制剂CAS号: 1268524-70-4分子式: C23H25ClN4O2S 分子量: 456.99IUPAC Name: tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-KRWDZBQOSA-NInChI: 1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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I-BET762,的BRD抑制剂CAS号: 1260907-17-2分子式: C22H22ClN5O2 分子量: 423.9IUPAC Name: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamideSMILES: CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)CInChIKey: AAAQFGUYHFJNHI-SFHVURJKSA-NInChI: 1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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BAY-299,TAF1和BRD1抑制剂CAS号: 2080306-23-4分子式: C25H23N3O4 分子量: 429.47IUPAC Name: 6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dioneSMILES: CC1=CC2=C(C=C1N3C(=O)C4=C5C(=C(C=C4)CCCO)C=CC=C5C3=O)N(C(=O)N2C)CInChIKey: OFWWWKWUCDUISA-UHFFFAOYSA-NInChI: 1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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VZ 185,BRD7 / 9降解剂CAS号: 2306193-61-1 Compound CID : 138454768分子式: C53H67FN8O8S 分子量: 995.23IUPAC Name: See more SMILES: CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O)OCCCCCN5CCN(CC5)CC6=C(C=C(C=C6OC)C7=CN(C(=O)C8=C7C=CN=C8)C)OCInChIKey: ZAGCLFXBHOXXEN-JPTLTNPLSA-NInChI: See more
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BAZ2-ICR,BAZ2抑制剂CAS号: 1665195-94-7分子式: C20H19N7 分子量: 357.41IUPAC Name: 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrileSMILES: CN1C=C(C=N1)CCN2C=NC(=C2C3=CC=C(C=C3)C#N)C4=CN(N=C4)CInChIKey: RRZVGDGTWNQAPW-UHFFFAOYSA-NInChI: 1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
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AT 1,是由von Hippel-Lindau配体和BRD4配体相连的PROTACCAS号: 2098836-45-2 Compound CID : 124201841分子式: C48H58ClN9O5S3 分子量: 972.68IUPAC Name: See more SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCCCSC(C)(C)C(C(=O)N4CC(CC4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)NC(=O)C)C7=CC=C(C=C7)Cl)CInChIKey: SQNZDYHMCMIGGV-TZPPCSJFSA-NInChI: See more
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SGC-CBP30CAS号: 1613695-14-9 Compound CID : 72201027分子式: C28H33ClN4O3 分子量: 509.04IUPAC Name: 4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholineSMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)CC(C)N5CCOCC5InChIKey: GEPYBHCJBORHCE-SFHVURJKSA-NInChI: 1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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NI-57CAS号: 1883548-89-7分子式: C19H17N3O4S 分子量: 383.42IUPAC Name: 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamideSMILES: CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C=C3)C#N)OC)N(C1=O)CInChIKey: UEMQPCYDWCSVCU-UHFFFAOYSA-NInChI: 1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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PROTAC BRD4降解剂-5CAS号: 2409538-70-9 Compound CID : 146673078分子式: C50H62ClN9O8S2 分子量: 1016.7IUPAC Name: See more SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NC(C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)CInChIKey: SLPWRCRRHVRNRM-BEGQQDOQSA-NInChI: See more
