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Chemical structure of GPR88 agonist 2

GC71403

GPR88 agonist 2

Also known as N-methyl-1-[(2R)-2-[4-[(2S)-2-methylbutoxy]phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]triazole-4-carboxamide

GPR88 agonist 2 (compound 53) is a potent and brain-penetrantGPR88 agonist with an EC50 value of 14 µM in GPR88 cAMP functional assay

ChemicalCAS2821859-71-4MW463.57FormulaC26H33N5O3
CAS number
2821859-71-4
Molecular weight
463.57
Formula
C26H33N5O3
Solubility
DMSO ： 100 mg/mL (215·72 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
LVUMROGMIIBKQA-YDHSSHFGSA-N
Catalogue number
GC71403
Brand
GLPBIO
Computed properties PubChem CID 168679882 · XLogP 3.9 · TPSA 98.1 Ų · H-bond donors 2
XLogP
3.9
TPSA
98.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
34

SMILES CC[C@H](C)COC1=CC=C(C=C1)[C@H](CN2C=C(N=N2)C(=O)NC)NC(=O)[C@@H](C)C3=CC=CC=C3

Computed descriptors from PubChem (CID 168679882), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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