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Chemical structure of H4R antagonist 2

GC75608

H4R antagonist 2

Also known as 9-[3-(methylamino)azetidin-1-yl]-7-oxa-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-amine

H4R antagonist 2 (page 68), a Furo[3,2-d]pyrimidine derivative, is a potent H4R antagonist

ChemicalCAS1148115-99-4MW259.31FormulaC13H17N5O
CAS number
1148115-99-4
Molecular weight
259.31
Formula
C13H17N5O
Solubility
DMSO： 15 mg/mL (57·85 mM; Need ultrasonic)
InChIKey
WUSKTVHULHXVSO-UHFFFAOYSA-N
Catalogue number
GC75608
Brand
GLPBIO
Computed properties PubChem CID 42603186 · XLogP 0.9 · TPSA 80.2 Ų · H-bond donors 2
XLogP
0.9
TPSA
80.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

SMILES CNC1CN(C1)C2=NC(=NC3=C2OC4=C3CCC4)N

Computed descriptors from PubChem (CID 42603186), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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