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Chemical structure of PDE7-IN-3

GC70202

PDE7-IN-3

Also known as 3-(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutane-1-carboxylic acid

Pde7-in-3 (example 2) is an inhibitor of the phosphodiesterase PDE7 with potential analgesic activity

ChemicalCAS908570-13-8MW364.82FormulaC18H21ClN2O4
CAS number
908570-13-8
Molecular weight
364.82
Formula
C18H21ClN2O4
Solubility
DMSO ： 100 mg/mL (274·11 mM; ultrasonic and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
PFDYHSOOBQTYLZ-UHFFFAOYSA-N
Catalogue number
GC70202
Brand
GLPBIO
Computed properties PubChem CID 11508847 · XLogP 2.8 · TPSA 87.7 Ų · H-bond donors 3
XLogP
2.8
TPSA
87.7 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

SMILES C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)Cl)OC4CC(C4)C(=O)O

Computed descriptors from PubChem (CID 11508847), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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