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Chemical structure of Crth2-IN-1

GC31998

Crth2-IN-1

Also listed as CRTH2-IN-1 (Ramatroban analog)

CRTH2-IN-1 (Ramatroban analog) (Ramatroban analog) is a selective prostaglandin D2 receptor DP2 (CRTH2) antagonist with an IC50 of 6 nM in a human DP2 binding assay

ChemicalCAS926661-54-3MW416.47FormulaC21H21FN2O4S
CAS number
926661-54-3
Molecular weight
416.47
Formula
C21H21FN2O4S
Solubility
Soluble in DMSO
InChIKey
JTCAGRAKUAAYDY-UHFFFAOYSA-N
Catalogue number
GC31998
Brand
GLPBIO
Computed properties PubChem CID 15950362 · XLogP 2.8 · TPSA 88 Ų · H-bond donors 1
XLogP
2.8
TPSA
88 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

SMILES CN(C1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 15950362), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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