按“信号通路”分类 - 小分子和化合物库

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花生四烯酸(AA)
- ≥99%(GC)
CAS号: 506-32-1 EC号: 208-033-4

分子式: C₂₀H₃₂O₂ 分子量: 304.47

IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O

InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

InChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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对乙酰氨基苯酚
- ≥99.5%
CAS号: 103-90-2 EC号: 203-157-5

分子式: C₈H₉NO₂ 分子量: 151.16

IUPAC Name: N-(4-hydroxyphenyl)acetamide

SMILES: CC(=O)NC1=CC=C(C=C1)O

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

InChI: 1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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花生四烯酸(AA)
- ≥99%(GC)
CAS号: 506-32-1 EC号: 208-033-4

分子式: C₂₀H₃₂O₂ 分子量: 304.47

IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O

InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

InChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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克罗米通
- ≥97%(predominantly trans)
CAS号: 483-63-6 EC号: 207-596-3

分子式: C₁₃H₁₇NO 分子量: 203.28

IUPAC Name: (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide

SMILES: CCN(C1=CC=CC=C1C)C(=O)C=CC

InChIKey: DNTGGZPQPQTDQF-XBXARRHUSA-N

InChI: 1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
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Nutlin-3b
- ≥98%
CAS号: 675576-97-3

分子式: C₃₀H₃₀Cl₂N₄O₄ 分子量: 581.49

IUPAC Name: 4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChIKey: BDUHCSBCVGXTJM-IZLXSDGUSA-N

InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/mSee more
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Nutlin-3,MDM2拮抗剂
- ≥98%
CAS号: 548472-68-0

分子式: C₃₀H₃₀Cl₂N₄O₄ 分子量: 581.49

IUPAC Name: 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChIKey: BDUHCSBCVGXTJM-UHFFFAOYSA-N

InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
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Nutlin-3
- ≥97%
CAS号: 890090-75-2

分子式: C₃₀H₃₀Cl₂N₄O₄ 分子量: 581.49

IUPAC Name: 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChIKey: BDUHCSBCVGXTJM-UHFFFAOYSA-N

InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
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Nutlin-3a,p53-MDM2结合抑制剂
- ≥97%
CAS号: 675576-98-4

分子式: C₃₀H₃₀Cl₂N₄O₄ 分子量: 581.49

IUPAC Name: 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChIKey: BDUHCSBCVGXTJM-WUFINQPMSA-N

InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/mSee more
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葛根素
- ≥98%
CAS号: 3681-99-0 EC号: 609-296-1

分子式: C₂₁H₂₀O₉ 分子量: 416.38

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

InChI: 1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
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葛根素
- ≥98%
CAS号: 3681-99-0 EC号: 609-296-1

分子式: C₂₁H₂₀O₉ 分子量: 416.38

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

InChI: 1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
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RG7112,有效的MDM2抑制剂
- ≥98%
CAS号: 939981-39-2 Compound CID : 57406853

分子式: C₃₈H₄₈Cl₂N₄O₄S 分子量: 727.78

IUPAC Name: [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone

SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl

InChIKey: QBGKPEROWUKSBK-QPPIDDCLSA-N

InChI: 1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3See more
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维达列汀 (LAF-237)
- ≥99%
CAS号: 274901-16-5 Compound CID : 6918537

分子式: C₁₇H₂₅N₃O₂ 分子量: 303.4

IUPAC Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile

SMILES: C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

InChIKey: SYOKIDBDQMKNDQ-XWTIBIIYSA-N

InChI: 1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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