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Chemical structure of H4R antagonist 1

GC31884

H4R antagonist 1

Also known as 1-(12-bromo-2,3,4,5,8,10-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-N-methylazetidin-3-amine

H4R antagonist 1 is a potent and highly selective histamine H4 receptor (H4R) antagonist with an IC50 of 27 nM

ChemicalCAS1429375-54-1MW335.16FormulaC11H11BrN8
CAS number
1429375-54-1
Molecular weight
335.16
Formula
C11H11BrN8
Solubility
DMSO ： 20 mg/mL (59·67 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ICGICUHMULRYIQ-UHFFFAOYSA-N
Catalogue number
GC31884
Brand
GLPBIO
Computed properties PubChem CID 71548412 · XLogP 0.5 · TPSA 84.1 Ų · H-bond donors 1
XLogP
0.5
TPSA
84.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
20

SMILES CNC1CN(C1)C2=NC3=C(C=C(C=N3)Br)N4C2=NN=N4

Computed descriptors from PubChem (CID 71548412), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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