表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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TG101209
- ≥98%
CAS号: 936091-14-4 Compound CID : 16722832

分子式: C₂₆H₃₅N₇O₂S 分子量: 509.67

IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide

SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C

InChIKey: JVDOKQYTTYUYDV-UHFFFAOYSA-N

InChI: 1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
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Fedratinib(SAR302503,TG101348)
- ≥98%
CAS号: 936091-26-8 Compound CID : 16722836

分子式: C₂₇H₃₆N₆O₃S 分子量: 524.68

IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide

SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4

InChIKey: JOOXLOJCABQBSG-UHFFFAOYSA-N

InChI: 1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
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BI 2536
- ≥98%
CAS号: 755038-02-9

分子式: C₂₈H₃₉N₇O₃ 分子量: 521.66

IUPAC Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES: CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C

InChIKey: XQVVPGYIWAGRNI-JOCHJYFZSA-N

InChI: 1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t2See more
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I-BET151,异恶唑类pan-BET家族抑制剂
- ≥98%
CAS号: 1300031-49-5

分子式: C₂₃H₂₁N₅O₃ 分子量: 415.44

IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one

SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)C(C)C5=CC=CC=N5)OC

InChIKey: VUVUVNZRUGEAHB-CYBMUJFWSA-N

InChI: 1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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阿帕他隆
- ≥97%
CAS号: 1044870-39-4

分子式: C₂₀H₂₂N₂O₅ 分子量: 370.4

IUPAC Name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one

SMILES: CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2

InChIKey: NETXMUIMUZJUTB-UHFFFAOYSA-N

InChI: 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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米维布塞
- ≥98%
CAS号: 1445993-26-9

分子式: C₂₂H₁₉F₂N₃O₄S 分子量: 459.47

IUPAC Name: N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide

SMILES: CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C

InChIKey: RDONXGFGWSSFMY-UHFFFAOYSA-N

InChI: 1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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AZD-5153
- ≥97%
CAS号: 1869912-39-9

分子式: C₂₅H₃₃N₇O₃ 分子量: 479.585

IUPAC Name: (3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one

SMILES: CC1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C

InChIKey: RSMYFSPOTCDHHJ-GOSISDBHSA-N

InChI: 1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
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(+/-)-JQ1,Brd4 抑制剂
- ≥98%(HPLC)
CAS号: 1268524-69-1

分子式: C₂₃H₂₅ClN₄O₂S 分子量: 456.99

IUPAC Name: tert-butyl 2-[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]acetate

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

InChIKey: DNVXATUJJDPFDM-UHFFFAOYSA-N

InChI: 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
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(+)-JQ1,BET溴结构域抑制剂
- ≥98%(HPLC)
CAS号: 1268524-70-4

分子式: C₂₃H₂₅ClN₄O₂S 分子量: 456.99

IUPAC 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]acetate

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

InChIKey: DNVXATUJJDPFDM-KRWDZBQOSA-N

InChI: 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
- ≥98%(HPLC)
CAS号: 1260907-17-2

分子式: C₂₂H₂₂ClN₅O₂ 分子量: 423.9

IUPAC Name: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide

SMILES: CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C

InChIKey: AAAQFGUYHFJNHI-SFHVURJKSA-N

InChI: 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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dBET1
- ≥99%
CAS号: 1799711-21-9

分子式: C₃₈H₃₇ClN₈O₇S 分子量: 785.27

IUPAC Name: 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]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]aminSee more

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

InChIKey: LKEGXJXRNBALBV-PMCHYTPCSA-N

InChI: 1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12See more
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DPQ,PARP-1抑制剂
- ≥98%
CAS号: 129075-73-6

分子式: C₁₈H₂₆N₂O₂ 分子量: 302.41

IUPAC Name: 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one

SMILES: C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O

InChIKey: RVOUDNBEIXGHJY-UHFFFAOYSA-N

InChI: 1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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