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Chemical structure of (1R,2R)-2-PCCA(hydrochloride)

GC30855

(1R,2R)-2-PCCA(hydrochloride)

Also known as trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide;dihydrochloride

(1R,2R)-2-PCCA(hydrochloride) is a diastereomer of 2-PCCA, and acts as a potent GPR88 receptor agonist, with an EC50 of 3 nM in cell-free assay, and 603 nM in cell assay

ChemicalCAS1609563-71-4MW528.56FormulaC30H39Cl2N3O
CAS number
1609563-71-4
Molecular weight
528.56
Formula
C30H39Cl2N3O
Solubility
DMSO ： 50 mg/mL (94·60 mM)
InChIKey
ZRMICUFWAJDIQJ-QUDNCWCRSA-N
Catalogue number
GC30855
Brand
GLPBIO
Computed properties PubChem CID 134128291 · TPSA 59.2 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
59.2 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
36

SMILES CCCC1=CC=C(C=C1)C2=CC=C(C=C2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@@H]3C[C@H]3C4=CC=CC=N4.Cl.Cl

Computed descriptors from PubChem (CID 134128291), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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