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Chemical structure of KW 3902

GC12417

KW 3902

Also known as 1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione

KW 3902 (KW-3902) is a potent, selective adenosine A1 receptor antagonist that is under development for the treatment of patients with acute congestive heart failure and renal impairment

ChemicalCAS136199-02-5MW356.46FormulaC20H28N4O2
CAS number
136199-02-5
Molecular weight
356.46
Formula
C20H28N4O2
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 0·5 mg/ml
InChIKey
PJBFVWGQFLYWCB-UHFFFAOYSA-N
Catalogue number
GC12417
Brand
GLPBIO
Computed properties PubChem CID 64627 · XLogP 4.9 · TPSA 69.3 Ų · H-bond donors 1
XLogP
4.9
TPSA
69.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5

Computed descriptors from PubChem (CID 64627), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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