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Chemical structure of H4R antagonist 3

GC75621

H4R antagonist 3

Also known as 5-(4-chlorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

H4R antagonist 3 (Example 18) is a histamine-4 receptor antagonist with an EC50 of ＜10 mM

ChemicalCAS1003091-20-0MW372.91FormulaC19H21ClN4S
CAS number
1003091-20-0
Molecular weight
372.91
Formula
C19H21ClN4S
Solubility
DMSO： 2 mg/mL (5·36 mM; ultrasonic and warming and heat to 60°C)
InChIKey
IYOAEBAARGYYSQ-UHFFFAOYSA-N
Catalogue number
GC75621
Brand
GLPBIO
Computed properties PubChem CID 2421821 · XLogP 4.9 · TPSA 60.5 Ų · H-bond donors 0
XLogP
4.9
TPSA
60.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25

SMILES CN1CCC(CC1)N(C)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

Computed descriptors from PubChem (CID 2421821), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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