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Chemical structure of LTD4 antagonist 1

GC31944

LTD4 antagonist 1

Also known as 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-(4,4,4-trifluoro-2-methylbutyl)indole-5-carboxamide

LTD4 antagonist 1 is a potent, orally active antagonist of leukotriene D4 (LTD4) with a Ki of 0·57 nM

ChemicalCAS136564-67-5MW615.66FormulaC31H32F3N3O5S
CAS number
136564-67-5
Molecular weight
615.66
Formula
C31H32F3N3O5S
Solubility
Soluble in DMSO
InChIKey
ULMFXAMQUGLVGA-UHFFFAOYSA-N
Catalogue number
GC31944
Brand
GLPBIO
Computed properties PubChem CID 9986282 · XLogP 6.2 · TPSA 115 Ų · H-bond donors 2
XLogP
6.2
TPSA
115 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
43

SMILES CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)C(=O)NCC(C)CC(F)(F)F)C)OC

Computed descriptors from PubChem (CID 9986282), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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