表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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MK-5108(VX-689),Aurora A抑制剂
- ≥98%
CAS号: 1010085-13-8

分子式: C₂₂H₂₁ClFN₃O₃S 分子量: 461.94

IUPAC Name: 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid

SMILES: C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O

InChIKey: LCVIRAZGMYMNNT-UHFFFAOYSA-N

InChI: 1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)
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吡啶-2，4-二羧酸（PCA）
- ≥99%
CAS号: 499-80-9 EC号: 207-892-2

分子式: C₇H₅NO₄ 分子量: 167.12

IUPAC Name: pyridine-2,4-dicarboxylic acid

SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O

InChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-N

InChI: 1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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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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TAK-901
- ≥98%
CAS号: 934541-31-8 Compound CID : 16124208

分子式: C₂₈H₃₂N₄O₃S 分子量: 504.66

IUPAC Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide

SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C

InChIKey: WKDACQVEJIVHMZ-UHFFFAOYSA-N

InChI: 1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
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JIB-04,Jumonji组蛋白脱甲基酶抑制剂
- ≥98%(HPLC)
CAS号: 199596-05-9

分子式: C₁₇H₁₃ClN₄ 分子量: 308.76

IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

SMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3

InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-N

InChI: 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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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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GSK467
- ≥99%
CAS号: 1628332-52-4

分子式: C₁₇H₁₃N₅O₂ 分子量: 319.32

IUPAC Name: 2-(1-benzylpyrazol-4-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one

SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)OC3=NC4=C(C=CN=C4)C(=O)N3

InChIKey: ZTYRLXUTLYBVHH-UHFFFAOYSA-N

InChI: 1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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JIB-04
- 10mM in DMSO
CAS号: 199596-05-9

分子式: C₁₇H₁₃ClN₄ 分子量: 308.76

IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

SMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3

InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-N

InChI: 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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吡啶-2，4-二羧酸(PCA)
- 10mM in DMSO
CAS号: 499-80-9 EC号: 207-892-2

分子式: C₇H₅NO₄ 分子量: 167.12

IUPAC Name: pyridine-2,4-dicarboxylic acid

SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O

InChIKey: MJIVRKPEXXHNJT-UHFFFAOYSA-N

InChI: 1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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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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8-羟基喹啉-5-羧酸
- ≥97%(HPLC)
CAS号: 5852-78-8

分子式: C₁₀H₇NO₃ 分子量: 189.17

IUPAC Name: 8-hydroxyquinoline-5-carboxylic acid

SMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O

InChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-N

InChI: 1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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QC6352
- ≥99%
CAS号: 1851373-36-8 Compound CID : 118598059

分子式: C₂₄H₂₅N₃O₂ 分子量: 387.47

IUPAC Name: 3-[[(1R)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid

SMILES: CN(C1=CC=CC=C1)C2=CC3=C(C=C2)C(CCC3)CNC4=C(C=CN=C4)C(=O)O

InChIKey: XSMABFRQESMONQ-SFHVURJKSA-N

InChI: 1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
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