按“信号通路”分类 - 小分子和化合物库

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TW-37,小分子BCL-2抑制剂
- ≥98%
CAS号: 877877-35-5 Compound CID : 11455910

分子式: C₃₃H₃₅NO₆S 分子量: 573.71

IUPAC Name: N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide

SMILES: CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C

InChIKey: PQAPVTKIEGUPRN-UHFFFAOYSA-N

InChI: 1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
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1,2,3-三羟基蒽醌
- ≥98%
CAS号: 602-64-2

分子式: C₁₄H₈O₅ 分子量: 256.21

IUPAC Name: 1,2,3-trihydroxyanthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

InChIKey: AHKDJQYHVWSRLT-UHFFFAOYSA-N

InChI: 1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
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ABT-199 (GDC-0199),Bcl-2抑制剂
- ≥99%
CAS号: 1257044-40-8

分子式: C₄₅H₅₀ClN₇O₇S 分子量: 868.44

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

SMILES: CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C

InChIKey: LQBVNQSMGBZMKD-UHFFFAOYSA-N

InChI: 1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13See more
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藤黄酸
- ≥97%(HPLC)
CAS号: 2752-65-0

分子式: C₃₈H₄₄O₈ 分子量: 628.75

IUPAC Name: (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-1See more

SMILES: CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C

InChIKey: GEZHEQNLKAOMCA-RRZNCOCZSA-N

InChI: 1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,See more
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棉子酚
- ≥95%
CAS号: 303-45-7

分子式: C₃₀H₃₀O₈ 分子量: 518.55

IUPAC Name: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O

InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

InChI: 1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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A-1210477,MCL-1抑制剂
- ≥98%
CAS号: 1668553-26-1

分子式: C₄₆H₅₅N₇O₇S 分子量: 850.04

IUPAC Name: 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

SMILES: CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C

InChIKey: XMVAWGSQPHFXKU-UHFFFAOYSA-N

InChI: 1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-3See more
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5,8,11,14-二十碳四丁酸
- ≥98%
CAS号: 1191-85-1

分子式: C₂₀H₂₄O₂ 分子量: 296.5

IUPAC Name: icosa-5,8,11,14-tetraynoic acid

SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O

InChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-N

InChI: 1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
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ABT-263,小分子Bcl-2家族蛋白抑制剂
- ≥98%
CAS号: 923564-51-6

分子式: C₄₇H₅₅ClF₃N₅O₆S₃ 分子量: 974.61

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-N

InChI: 1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-See more
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Sabutoclax,pan-Bcl-2抑制剂
- ≥96%
CAS号: 1228108-65-3

分子式: C₄₂H₄₀N₂O₈ 分子量: 700.78

IUPAC Name: 2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide

SMILES: CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6

InChIKey: RAYNZUHYMMLQQA-ZEQRLZLVSA-N

InChI: 1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,1See more
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PF CBP1,CBP / p300溴结构域抑制剂
- ≥98%(HPLC)
CAS号: 1962928-21-7 Compound CID : 119081417

分子式: C₂₉H₃₆N₄O₃ 分子量: 488.62

IUPAC Name: 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

SMILES: CCCOC1=CC=C(C=C1)CCC2=NC3=C(N2CCN4CCOCC4)C=CC(=C3)C5=C(ON=C5C)C

InChIKey: CGWBJJZOKGZCSJ-UHFFFAOYSA-N

InChI: 1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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ISOX DUAL,双重BRD4和CBP / p300溴结构域抑制剂
- ≥98%(HPLC)
CAS号: 1962928-22-8

分子式: C₃₁H₄₁N₅O₃ 分子量: 531.69

IUPAC Name: 3-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]-N,N-dimethylpropan-1-amine

SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OCCCN(C)C)CCN5CCOCC5

InChIKey: HCDQWCDANVEBQR-UHFFFAOYSA-N

InChI: 1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3
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I-CBP 112,CBP / p300 BRD抑制剂
- ≥98%(HPLC)
CAS号: 1640282-31-0

分子式: C₂₇H₃₆N₂O₅ 分子量: 468.59

IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

SMILES: CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC

InChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChI: 1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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