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Chemical structure of PGD2-IN-1

GC31778

PGD2-IN-1

Also known as 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid

PGD2-IN-1 is an antagonist of DP extracted from patent WO 2006044732 A2, example 15 (d); has an IC50 of 0·3 nM

ChemicalCAS885066-67-1MW460.35FormulaC23H23Cl2N3O3
CAS number
885066-67-1
Molecular weight
460.35
Formula
C23H23Cl2N3O3
Solubility
DMSO ： ≥ 25 mg/mL (54·31 mM)
InChIKey
FJKKCRCBBAXLQZ-UHFFFAOYSA-N
Catalogue number
GC31778
Brand
GLPBIO
Computed properties PubChem CID 11669780 · XLogP 6.1 · TPSA 84.3 Ų · H-bond donors 2
XLogP
6.1
TPSA
84.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

SMILES CC(C)(C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 11669780), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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