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Chemical structure of LY293111

GC44096

LY293111

Also known as 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid

LY293111 (LY293111), an orally active leukotriene B4 receptor antagonist, inhibits the binding of [3H]LTB4, with a Ki of 25 nM

ChemicalCAS161172-51-6MW544.6FormulaC33H33FO6
CAS number
161172-51-6
Molecular weight
544.6
Formula
C33H33FO6
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
YFIZRWPXUYFCSN-UHFFFAOYSA-N
Catalogue number
GC44096
Brand
GLPBIO
Computed properties PubChem CID 177941 · XLogP 8.5 · TPSA 85.2 Ų · H-bond donors 2
XLogP
8.5
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
40

SMILES CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O

Computed descriptors from PubChem (CID 177941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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