表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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帕比司他
- ≥98%
CAS号: 404950-80-7

分子式: C₂₁H₂₃N₃O₂ 分子量: 349.44

IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO

InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N

InChI: 1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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PCI-24781(Abexinostat),广谱组蛋白去酰基化酶（HDAC）抑制剂
- ≥97%
CAS号: 783355-60-2

分子式: C₂₁H₂₃N₃O₅ 分子量: 397.42

IUPAC Name: 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide

SMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO

InChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-N

InChI: 1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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Pracinostat (SB939),HDAC抑制剂
- ≥98%
CAS号: 929016-96-6

分子式: C₂₀H₃₀N₄O₂ 分子量: 358.48

IUPAC Name: (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide

SMILES: CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO

InChIKey: JHDKZFFAIZKUCU-ZRDIBKRKSA-N

InChI: 1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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Romidepsin,HDAC1和HDAC2抑制剂
- ≥98%
CAS号: 128517-07-7 Compound CID : 5352062

分子式: C₂₄H₃₆N₄O₆S₂ 分子量: 540.7

IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

SMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

InChI: 1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9See more
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Scriptaid,HDAC抑制剂
- ≥99%
CAS号: 287383-59-9 Compound CID : 5186

分子式: C₁₈H₁₈N₂O₄ 分子量: 326.35

IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO

InChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-N

InChI: 1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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曲古柳菌素A(TSA)
- ≥98%
CAS号: 58880-19-6 Compound CID : 444732

分子式: C₁₇H₂₂N₂O₃ 分子量: 302.37

IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

SMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

InChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-N

InChI: 1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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N-羟基-N'-苯基辛二酰胺
- ≥99%
CAS号: 149647-78-9 Compound CID : 5311

分子式: C₁₄H₂₀N₂O₃ 分子量: 264.32

IUPAC Name: N'-hydroxy-N-phenyloctanediamide

SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

InChI: 1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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非美诺司他
- ≥98%
CAS号: 1339928-25-4

分子式: C₂₃H₂₄N₈O₄S 分子量: 508.55

IUPAC Name: N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide

SMILES: CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO

InChIKey: JOWXJLIFIIOYMS-UHFFFAOYSA-N

InChI: 1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
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CUDC-101,HDAC，EGFR和HER2抑制剂
- ≥98%
CAS号: 1012054-59-9

分子式: C₂₄H₂₆N₄O₄ 分子量: 434.49

IUPAC Name: 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO

InChIKey: PLIVFNIUGLLCEK-UHFFFAOYSA-N

InChI: 1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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恩替诺特 (MS-275)
- ≥98%
CAS号: 209783-80-2

分子式: C₂₁H₂₀N₄O₃ 分子量: 376.41

IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

SMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-N

InChI: 1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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CHDI 00390576,IIa类HDAC抑制剂
- ≥98%(HPLC)
CAS号: 1629729-98-1

分子式: C₁₉H₁₃F₄N₃O₂ 分子量: 391.32

IUPAC Name: 2-(2-fluorophenyl)-N-hydroxy-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide

SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C(=O)NO)F

InChIKey: LMGDHGQJJLEAPQ-UHFFFAOYSA-N

InChI: 1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
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达诺司他
- ≥98%
CAS号: 404951-53-7

分子式: C₂₂H₂₅N₃O₃ 分子量: 379.45

IUPAC Name: (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide

SMILES: C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO

InChIKey: BWDQBBCUWLSASG-MDZDMXLPSA-N

InChI: 1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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