激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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GSK503,EZH2甲基转移酶抑制剂
- ≥98%
CAS号 : 1346572-63-1 Compound CID : 67469117

分子式: C₃₁H₃₈N₆O₂ 分子量: 526.67

IUPAC 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-carboxamide

SMILES: 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)C

InChIKey: HRDQQHUKUIKFHT-UHFFFAOYSA-N

InChI: InChI=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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Lirametostat (CPI-1205)
- 10mM in DMSO
CAS号 : 1621862-70-1(DMSO)

分子式: C₂₇H₃₃F₃N₄O₃ 分子量: 518.57

SMILES: COC1=C(CNC(=O)C2=C(C)[N](C(C)C3CCN(CC3)CC(F)(F)F)C4=C2C=CC=C4)C(=O)NC(=C1)C
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GSK126
- 2mM in DMSO
CAS号 : 1346574-57-9(DMSO)

分子式: C₃₁H₃₈N₆O₂ 分子量: 526.67

SMILES: CCC(C)[N]1C=C(C)C2=C(C=C(C=C12)C3=CC=C(N=C3)N4CCNCC4)C(=O)NCC5=C(C)C=C(C)NC5=O
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Tazemetostat (EPZ-6438)
- in 2mM DMSO
CAS号 : 1403254-99-8(DMSO)

分子式: C₃₄H₄₄N₄O₄ 分子量: 572.74

SMILES: CCN(C1CCOCC1)C2=C(C)C(=CC(=C2)C3=CC=C(CN4CCOCC4)C=C3)C(=O)NCC5=C(C)C=C(C)NC5=O
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CPI-360
- ≥98%
CAS号 : 1802175-06-9 Compound CID : 73442743

分子式: C₂₅H₃₁N₃O₄ 分子量: 437.53

IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide

SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCOCC4)C)OC

InChIKey: PFPSFENQCNMITC-MRXNPFEDSA-N

InChI: InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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PF-06726304
- ≥99%
CAS号 : 1616287-82-1 Compound CID : 86723730

分子式: C₂₂H₂₁Cl₂N₃O₃ 分子量: 446.33

IUPAC 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-one

SMILES: CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C4=C(ON=C4C)C)Cl)C

InChIKey: PDKDOPJQPKXNCT-UHFFFAOYSA-N

InChI: InChI=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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MS1943
- ≥98%
CAS号 : 2225938-17-8 Compound CID : 139211327

分子式: C₄₂H₅₄N₈O₃ 分子量: 718.93

IUPAC 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-carboxamide

SMILES: 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)C

InChIKey: WQIQJFXBAJJKNT-UHFFFAOYSA-N

InChI: InChI=1S/C42H54N8O3/c1-26(2)50-37-18-33(17-34(36(37)25-46-50)40(52)45-24-35-27(3)13-28(4)47-41(35)53)32-5-6-38(44-23-32)49-11-9-48(10-12-49)8-7-43-39(51)22-42-19-29-14-30(20-42)16-31(15-29)21-42/h5-6,13,17-18,23,25-26,29-31H,7-12,14-16,19-22,24H2,1-4H3,(H,43,51)(H,45,52)(H,47,53)
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CPI-360
- 10mM in DMSO
CAS号 : 1802175-06-9 Compound CID : 73442743

分子式: C₂₅H₃₁N₃O₄ 分子量: 437.53

IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide

SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCOCC4)C)OC

InChIKey: PFPSFENQCNMITC-MRXNPFEDSA-N

InChI: InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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EPZ005687
- 2mM in DMSO
CAS号 : 1396772-26-1 Compound CID : 60160561

分子式: C₃₂H₃₇N₅O₃ 分子量: 539.67

IUPAC Name: 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide

SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C

InChIKey: ZOIBZSZLMJDVDQ-UHFFFAOYSA-N

InChI: InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)
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EI1
- 10mM in DMSO
CAS号 : 1418308-27-6 Compound CID : 72199293

分子式: C₂₃H₂₆N₄O₂ 分子量: 390.48

IUPAC Name: 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide

SMILES: CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)C

InChIKey: PFHDWRIVDDIFRP-UHFFFAOYSA-N

InChI: InChI=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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EBI-2511
- 10mM in DMSO
CAS号 : 2098546-05-3 Compound CID : 133081962

分子式: C₃₄H₄₈N₄O₄ 分子量: 576.77

IUPAC 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-carboxamide

SMILES: CCC1=C(C2=C(C=C1N(CC)C3CCOCC3)OC(=C2)C4CCN(CC4)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C

InChIKey: NYWVSLBALKNFJR-UHFFFAOYSA-N

InChI: InChI=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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GSK503
- 10mM in DMSO
CAS号 : 1346572-63-1 Compound CID : 67469117

分子式: C₃₁H₃₈N₆O₂ 分子量: 526.67

IUPAC 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-carboxamide

SMILES: 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)C

InChIKey: HRDQQHUKUIKFHT-UHFFFAOYSA-N

InChI: InChI=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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