FDA批准的配体 - 小分子和化合物库

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匹格列酮
- ≥98%
CAS号 : 111025-46-8 Compound CID : 4829

分子式: C₁₉H₂₀N₂O₃S 分子量: 356.44

IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N

InChI: InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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沙芬酰胺
- ≥98%
CAS号 : 133865-89-1 Compound CID : 131682

分子式: C₁₇H₁₉FN₂O₂ 分子量: 302.34

IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide

SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F

InChIKey: NEMGRZFTLSKBAP-LBPRGKRZSA-N

InChI: InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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雷沙吉兰
- ≥97%
CAS号 : 136236-51-6 Compound CID : 3052776

分子式: C₁₂H₁₃N 分子量: 171.24

IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

SMILES: C#CCNC1CCC2=CC=CC=C12

InChIKey: RUOKEQAAGRXIBM-GFCCVEGCSA-N

InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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孟鲁司特
- ≥99%
CAS号 : 158966-92-8 Compound CID : 5281040

分子式: C₃₅H₃₆ClNO₃S 分子量: 586.18

IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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孟鲁司特
- 10mM in DMSO
CAS号 : 158966-92-8 Compound CID : 5281040

分子式: C₃₅H₃₆ClNO₃S 分子量: 586.18

IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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雷沙吉兰
- 10mM in DMSO
CAS号 : 136236-51-6 Compound CID : 3052776

分子式: C₁₂H₁₃N 分子量: 171.24

IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

SMILES: C#CCNC1CCC2=CC=CC=C12

InChIKey: RUOKEQAAGRXIBM-GFCCVEGCSA-N

InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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Safinamide
- 10mM in DMSO
CAS号 : 133865-89-1 Compound CID : 131682

分子式: C₁₇H₁₉FN₂O₂ 分子量: 302.34

IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide

SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F

InChIKey: NEMGRZFTLSKBAP-LBPRGKRZSA-N

InChI: InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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