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Chemical structure of Ca2+ channel agonist 1

GC30977

Ca2+ channel agonist 1

Also known as (2R)-2-[[6-(benzylamino)-9-propylpurin-2-yl]amino]butan-1-ol

Ca2+ channel agonist 1 is an agonist of N-type Ca2+ channel and an inhibitor of Cdk2, with EC50s of 14·23 μM and 3·34 μM, respectively, and is used as a potential treatment for motor nerve terminal dysfunction

ChemicalCAS1402821-24-2MW354.45FormulaC19H26N6O
CAS number
1402821-24-2
Molecular weight
354.45
Formula
C19H26N6O
Solubility
DMSO : 50 mg/mL (141·06 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
LKXPLOHGQSEPEM-OAHLLOKOSA-N
Catalogue number
GC30977
Brand
GLPBIO
Computed properties PubChem CID 69472592 · XLogP 3.3 · TPSA 87.9 Ų · H-bond donors 3
XLogP
3.3
TPSA
87.9 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
26

SMILES CCCN1C=NC2=C(N=C(N=C21)N[C@H](CC)CO)NCC3=CC=CC=C3

Computed descriptors from PubChem (CID 69472592), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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