配体家族 - 小分子和化合物库

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曲美替尼 (GSK1120212)
- ≥98%
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39

IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5

InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N

InChI: 1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
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（5Z）-7-氧杂烯醇
- ≥98%
CAS号: 253863-19-3 EC号: 683-694-3

分子式: C₁₉H₂₂O₇ 分子量: 362.37

IUPAC Name: (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

SMILES: COc1cc(O)c2C(=O)O[C@@H](C)CC=CC(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1

InChIKey: NEQZWEXWOFPKOT-BYRRXHGESA-N

InChI: 1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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Trametinib (GSK1120212)
- 10mM in DMSO
CAS号: 871700-17-3 Compound CID : 11707110

分子式: C₂₆H₂₃FIN₅O₄ 分子量: 615.39
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(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrol
Compound CID : 145996530

SMILES: O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O

InChIKey: RQBUNBWHIATPNI-WQWWALRQSA-N

InChI: 1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(6See more
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MS432
Compound CID : 145712394

IUPAC Name: (2S,4R)-1-((S)-20-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,18-dioxo-3-oxa-2,7,19-triazahenicosan-21-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidSee more

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C

InChIKey: KCBAMQOKOLXLOX-BSZYMOERSA-N

InChI: 1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)5See more
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TP-020
- 10mM in DMSO
CAS号: 1800025-30-2 Compound CID : 91885570

分子式: C₂₇H₂₁ClF₅N₇O₃S 分子量: 654.01
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RO4987655
- 10mM in DMSO
CAS号: 874101-00-5 Compound CID : 11548630

分子式: C₂₀H₁₉F₃IN₃O₅ 分子量: 565.29
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TP-020
- ≥98%
CAS号: 1800025-30-2 Compound CID : 91885570

分子式: C₂₇H₂₁ClF₅N₇O₃S 分子量: 654.01

IUPAC Name: N-(4-chloro-2,6-difluorophenyl)-1-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrimidin-2-yl]-7-(2-oxopyrrolidin-1-yl)-2,3-dihydroindole-5-sulfonamide

SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CN=C(N=C2)N3CCC4=C3C(=CC(=C4)S(=O)(=O)NC5=C(C=C(C=C5F)Cl)F)N6CCCC6=O

InChIKey: VSZRYLHBOKTNBO-UHFFFAOYSA-N

InChI: 1S/C27H21ClF5N7O3S/c1-38-20(11-22(36-38)27(31,32)33)15-12-34-26(35-13-15)40-6-4-14-7-17(10-21(25(14)40)39-5-2-3-23(39)41)44(42,43)37-24-18(29)8-16(28)9-19(24)30/h7-13,37H,2-6H2,1H3
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收藏夹比较
RO4987655
- ≥99%
CAS号: 874101-00-5 Compound CID : 11548630

分子式: C₂₀H₁₉F₃IN₃O₅ 分子量: 565.29

IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide

SMILES: C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO

InChIKey: FIMYFEGKMOCQKT-UHFFFAOYSA-N

InChI: 1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
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