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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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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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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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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Atabecestat
- 10mM in DMSO
CAS号: 1200493-78-2 EC号: 807-396-1

分子式: C₁₈H₁₄FN₅OS 分子量: 367.40
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PF-06751979
- 10mM in DMSO
CAS号: 1818339-66-0 Compound CID : 118435360

分子式: C₁₈H₁₉F₂N₅O₃S₂ 分子量: 455.50
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Umibecestat
- ≥99%
CAS号: 1387560-01-1 Compound CID : 88602735

分子式: C₁₉H₁₅ClF₇N₅O₂ 分子量: 513.80

IUPAC Name: N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

SMILES: CC1(COC(C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F

InChIKey: PSBBWFNMHDUTRH-DLBZAZTESA-N

InChI: 1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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PF-06751979
- ≥99%
CAS号: 1818339-66-0 Compound CID : 118435360

分子式: C₁₈H₁₉F₂N₅O₃S₂ 分子量: 455.50

IUPAC Name: N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

SMILES: CC1CC2CSC(=NC2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N

InChIKey: ZLZUHACSRMOLLV-RAALSFIWSA-N

InChI: 1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
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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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BACE1-IN-1
- ≥99%
CAS号: 1310347-50-2 Compound CID : 53241828

分子式: C₁₈H₁₄F₃N₅O₂ 分子量: 389.33

IUPAC Name: N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

SMILES: CC1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F

InChIKey: DVMUZHLUMHPCGZ-QGZVFWFLSA-N

InChI: 1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1
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