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表观遗传学
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UNC1999,EZH2甲基转移酶抑制剂CAS号: 1431612-23-5 Compound CID : 72551585分子式: C33H43N7O2 分子量: 569.74IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamideSMILES: CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)CInChIKey: DPJNKUOXBZSZAI-UHFFFAOYSA-NInChI: See more
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EI1,EZH2抑制剂CAS号: 1418308-27-6分子式: C23H26N4O2 分子量: 390.48IUPAC Name: 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamideSMILES: CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)CInChIKey: PFHDWRIVDDIFRP-UHFFFAOYSA-NInChI: 1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
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EPZ005687,EZH2抑制剂CAS号: 1396772-26-1分子式: C32H37N5O3 分子量: 539.67IUPAC Name: 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)CInChIKey: ZOIBZSZLMJDVDQ-UHFFFAOYSA-NInChI: See more
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GSK126,EZH2甲基转移酶抑制剂CAS号: 1346574-57-9分子式: C31H38N6O2 分子量: 526.67IUPAC Name: 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamideSMILES: CCC(C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)CInChIKey: FKSFKBQGSFSOSM-QFIPXVFZSA-NInChI: See more
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GSK343,细胞可穿透的histone H3-赖氨酸27(H3K27)甲基转移酶EZH2抑制剂CAS号: 1346704-33-3分子式: C31H39N7O2 分子量: 541.69IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-propan-2-ylindazole-4-carboxamideSMILES: CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)CInChIKey: ULNXAWLQFZMIHX-UHFFFAOYSA-NInChI: 1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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GSK503,EZH2甲基转移酶抑制剂CAS号: 1346572-63-1分子式: C31H38N6O2 分子量: 526.67IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C(=CN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C)CInChIKey: HRDQQHUKUIKFHT-UHFFFAOYSA-NInChI: 1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
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JQEZ5,SAM竞争性EZH2抑制剂CAS号: 1913252-04-6分子式: C30H38N8O2 分子量: 542.69IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamideSMILES: CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CN=C(C=C4)N5CCN(CC5)CInChIKey: LQTWDAYNGMMHLV-UHFFFAOYSA-NInChI: 1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)
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Tazemetostat (EPZ-6438)CAS号: 1403254-99-8 Compound CID : 66558664分子式: C34H44N4O4 分子量: 572.74IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamideSMILES: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5InChIKey: NSQSAUGJQHDYNO-UHFFFAOYSA-NInChI: See more
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PF-06726304CAS号: 1616287-82-1 Compound CID : 86723730分子式: C22H21Cl2N3O3 分子量: 446.33IUPAC Name: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-oneSMILES: CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C4=C(ON=C4C)C)Cl)CInChIKey: PDKDOPJQPKXNCT-UHFFFAOYSA-NInChI: 1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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EBI-2511CAS号: 2098546-05-3分子式: C34H48N4O4 分子量: 576.77IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-4-carboxamideSMILES: CCC1=C(C2=C(C=C1N(CC)C3CCOCC3)OC(=C2)C4CCN(CC4)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)CInChIKey: NYWVSLBALKNFJR-UHFFFAOYSA-NInChI: 1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)
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MS1943CAS号: 2225938-17-8分子式: C42H54N8O3 分子量: 718.93IUPAC Name: 6-[6-[4-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]piperazin-1-yl]pyridin-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)CCNC(=O)CC67CC8CC(C6)CC(C8)C7)C(C)C)CInChIKey: WQIQJFXBAJJKNT-UHFFFAOYSA-NInChI: See more
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Valemetostat (DS-3201)CAS号: 1809336-39-7分子式: C26H34ClN3O4 分子量: 488.02IUPAC Name: (2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)CInChIKey: SSDRNUPMYCFXGM-ZZHSESOFSA-NInChI: 1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17?,18?,26-/m1/s1
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