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Chemical structure of AM211 (AM211 free acid)

GC31718

AM211 (AM211 free acid)

Also known as 2-[3-[2-[[benzylcarbamoyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid

AM211 (AM211 free acid) is a potent, selective and orally bioavailable prostaglandin D2 (PGD2) receptor type 2 (DP2) antagonist, with IC50s of 4·9 nM, 7·8 nM, 4·9 nM, 10·4 nM for human, mouse, guinea pig, and rat DP2, respectively

ChemicalCAS1175526-27-8MW500.51FormulaC27H27F3N2O4
CAS number
1175526-27-8
Molecular weight
500.51
Formula
C27H27F3N2O4
Solubility
DMSO : ≥ 125 mg/mL (249·75 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
OPXIRFWNLBDKQB-UHFFFAOYSA-N
Catalogue number
GC31718
Brand
GLPBIO
Computed properties PubChem CID 44158492 · XLogP 4.9 · TPSA 78.9 Ų · H-bond donors 2
XLogP
4.9
TPSA
78.9 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36

SMILES CCN(CC1=C(C=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)CC(=O)O)OC)C(=O)NCC3=CC=CC=C3

Computed descriptors from PubChem (CID 44158492), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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