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Chemical structure of RXFP3/4 agonist 2

GC65906

RXFP3/4 agonist 2

Also known as methyl 4-[2-[[amino-[(2E)-2-[(5-cyano-7-methyl-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]ethyl]benzoate

RXFP3/4 agonist 2 is a potent, nonpeptide dual RXFP3/4 agonist (EC50=3·1 and 2·7 nM)· RXFP3/4 agonist 2 also potently promotes interactions between RXFP3 and β-arrestin-2 with EC50 values in the range of 10-22 nM

ChemicalCAS2752378-78-0MW402.45FormulaC22H22N6O2
CAS number
2752378-78-0
Molecular weight
402.45
Formula
C22H22N6O2
Solubility
DMSO : 100 mg/mL (248·48 mM; Need ultrasonic)
InChIKey
XIVYUSRYHWXGLX-UVHMKAGCSA-N
Catalogue number
GC65906
Brand
GLPBIO
Computed properties PubChem CID 162679305 · XLogP 2.7 · TPSA 129 Ų · H-bond donors 3
XLogP
2.7
TPSA
129 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30

SMILES CC1=CC(=CC2=C1NC=C2/C=N/NC(=NCCC3=CC=C(C=C3)C(=O)OC)N)C#N

Computed descriptors from PubChem (CID 162679305), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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