按“信号通路”分类 - 小分子和化合物库

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AR-42,HDAC抑制剂
- ≥98%
CAS号: 935881-37-1

分子式: C₁₈H₂₀N₂O₃ 分子量: 312.36

IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide

SMILES: CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO

InChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-N

InChI: 1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
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羽扇豆醇
- ≥95%
CAS号: 545-47-1 EC号: 208-889-9

分子式: C₃₀H₅₀O 分子量: 426.72

IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

InChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-N

InChI: 1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
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齐墩果酸
- ≥97%
CAS号: 508-02-1 EC号: 208-081-6

分子式: C₃₀H₄₈O₃ 分子量: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: 1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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齐墩果酸
- ≥98%
CAS号: 508-02-1 EC号: 208-081-6

分子式: C₃₀H₄₈O₃ 分子量: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: 1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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PCI-34051,HDAC8抑制剂
- ≥98%
CAS号: 950762-95-5

分子式: C₁₇H₁₆N₂O₃ 分子量: 296.32

IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide

SMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO

InChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-N

InChI: 1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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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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