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Chemical structure of H4 Receptor antagonist 1

GC31232

H4 Receptor antagonist 1

Also known as 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

H4 Receptor antagonist 1 is a potent and selective histamine H4 receptor inverse agonist, with an IC50 of 19 nM

ChemicalCAS848217-00-5MW316.79FormulaC16H17ClN4O
CAS number
848217-00-5
Molecular weight
316.79
Formula
C16H17ClN4O
Solubility
DMSO ： 10 mg/mL (31·57 mM)
InChIKey
GUJLUPNSRRNJKP-UHFFFAOYSA-N
Catalogue number
GC31232
Brand
GLPBIO
Computed properties PubChem CID 3934857 · XLogP 3.3 · TPSA 45.4 Ų · H-bond donors 0
XLogP
3.3
TPSA
45.4 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22

SMILES CC1=NC2=C(C(=N1)N3CCN(CC3)C)OC4=C2C=C(C=C4)Cl

Computed descriptors from PubChem (CID 3934857), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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