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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奥沙普秦
- ≥98%
CAS号: 21256-18-8

分子式: C₁₈H₁₅NO₃ 分子量: 293.32

IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid

SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3

InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-N

InChI: 1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
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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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依布硒
- ≥98%
CAS号: 60940-34-3

分子式: C₁₃H₉NOSe 分子量: 274.18

IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one

SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

InChI: 1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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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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瑞格非尼
- ≥99%
CAS号: 755037-03-7 Compound CID : 11167602

分子式: C₂₁H₁₅ClF₄N₄O₃ 分子量: 482.82

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N

InChI: 1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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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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索拉非尼
- ≥99%
CAS号: 284461-73-0

分子式: C₂₁H₁₆ClF₃N₄O₃ 分子量: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: 1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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三氯卡班
- ≥98%
CAS号: 101-20-2 Compound CID : 7547

分子式: C₁₃H₉Cl₃N₂O 分子量: 315.58

IUPAC Name: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea

SMILES: C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl

InChIKey: ICUTUKXCWQYESQ-UHFFFAOYSA-N

InChI: 1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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