表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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CYC116,Aurora A/B抑制剂
- ≥98%
CAS号: 693228-63-6

分子式: C₁₈H₂₀N₆OS 分子量: 368.46

IUPAC Name: 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChIKey: GPSZYOIFQZPWEJ-UHFFFAOYSA-N

InChI: 1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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Alisertib (MLN8237)
- ≥98%
CAS号: 1028486-01-2

分子式: C₂₇H₂₀ClFN₄O₄ 分子量: 518.94

IUPAC Name: 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid

SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC

InChIKey: ZLHFILGSQDJULK-UHFFFAOYSA-N

InChI: 1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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UNC3866
- ≥95%
CAS号: 1872382-47-2 Compound CID : 101043861

分子式: C₄₃H₆₆N₆O₈ 分子量: 795.02

IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(diethylamino)hexanoyl]amino]-3-hydroxypropanoate

SMILES: CCN(CC)CCCCC(C(=O)NC(CO)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChIKey: UMRRDXVUROEIKJ-JCXBGQGISA-N

InChI: 1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-2See more
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AT9283
- ≥98%
CAS号: 896466-04-9

分子式: C₁₉H₂₃N₇O₂ 分子量: 381.43

IUPAC Name: 1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea

SMILES: C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5

InChIKey: LOLPPWBBNUVNQZ-UHFFFAOYSA-N

InChI: 1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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UNC3866
- 10mM in DMSO
CAS号: 1872382-47-2 Compound CID : 101043861

分子式: C₄₃H₆₆N₆O₈ 分子量: 795.02

IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(diethylamino)hexanoyl]amino]-3-hydroxypropanoate

SMILES: CCN(CC)CCCCC(C(=O)NC(CO)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChIKey: UMRRDXVUROEIKJ-JCXBGQGISA-N

InChI: 1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-2See more
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