表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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星形孢菌素
- ≥98%
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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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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巴瑞克替尼
- ≥99%
CAS号: 1187594-09-7

分子式: C₁₆H₁₇N₇O₂S 分子量: 371.42

IUPAC Name: 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

SMILES: CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChIKey: XUZMWHLSFXCVMG-UHFFFAOYSA-N

InChI: 1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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MS023,细胞活性PRMT抑制剂
- ≥98%
CAS号: 1831110-54-3

分子式: C₁₇H₂₅N₃O 分子量: 287.4

IUPAC Name: N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine

SMILES: CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN

InChIKey: FMTVWAGUJRUAKE-UHFFFAOYSA-N

InChI: 1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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来他替尼
- ≥98%
CAS号: 111358-88-4

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: 1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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盐酸SGC2085
CAS号: 1821908-49-9 Compound CID : 124081151

分子式: C₁₉H₂₅ClN₂O₂ 分子量: 348.9

IUPAC Name: (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride

SMILES: CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)C(C)N)C)C.Cl

InChIKey: OQGSBQJSJRLNQH-RSAXXLAASA-N

InChI: 1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1

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SGC2085
- ≥99%
CAS号: 1821908-48-8 Compound CID : 121231417

分子式: C₁₉H₂₄N₂O₂ 分子量: 312.41

IUPAC Name: (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide

SMILES: CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)C(C)N)C)C

InChIKey: GLFOFXKMALJTCZ-HNNXBMFYSA-N

InChI: 1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1
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MS049
- ≥97%
CAS号: 1502816-23-0

分子式: C₁₅H₂₄N₂O 分子量: 248.36

IUPAC Name: N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine

SMILES: CNCCN1CCC(CC1)OCC2=CC=CC=C2

InChIKey: HBOJWAYLSJLULG-UHFFFAOYSA-N

InChI: 1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
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MS023
- 10mM in DMSO
CAS号: 1831110-54-3

分子式: C₁₇H₂₅N₃O 分子量: 287.4

IUPAC Name: N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine

SMILES: CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN

InChIKey: FMTVWAGUJRUAKE-UHFFFAOYSA-N

InChI: 1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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SGC2085
- 10mM in DMSO
CAS号: 1821908-48-8 Compound CID : 121231417

分子式: C₁₉H₂₄N₂O₂ 分子量: 312.41

IUPAC Name: (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide

SMILES: CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)C(C)N)C)C

InChIKey: GLFOFXKMALJTCZ-HNNXBMFYSA-N

InChI: 1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1
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星形孢菌素
- 10mM in DMSO
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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RGB-286638
- ≥98%
CAS号: 784210-88-4 Compound CID : 11285002

分子式: C₂₉H₃₅N₇O₄ 分子量: 545.63

IUPAC Name: 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea

SMILES: COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6

InChIKey: XLSYZSRXVVCHLS-UHFFFAOYSA-N

InChI: 1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
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