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Ca2+ channel agonist 1

CAT: 1410-M26083-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26083-01Size:5 mg
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Description
Ca2+ channel agonist 1 is an agonist of N-type Ca2+ channel and an inhibitor of Cdk2 (EC50s: 14.23 μM and 3.34 μM) and is used as a potential treatment for motor nerve terminal dysfunction.
CAS Number
1402821-24-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.458
Molecular Formula
C19H26N6O
Notes
Research use only, not for human use.
Receptor
Apoptosis| NF-κB

Chemical Information

Ca2+ channel agonist 1
CAS Number1402821-24-2
PubChem CID69472592
IUPAC Name(2R)-2-[[6-(benzylamino)-9-propylpurin-2-yl]amino]butan-1-ol
Molecular FormulaC19H26N6O
Molecular Weight354.4
XLogP3.3
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity405
SMILES
CCCN1C=NC2=C(N=C(N=C21)N[C@H](CC)CO)NCC3=CC=CC=C3
InChI
InChI=1S/C19H26N6O/c1-3-10-25-13-21-16-17(20-11-14-8-6-5-7-9-14)23-19(24-18(16)25)22-15(4-2)12-26/h5-9,13,15,26H,3-4,10-12H2,1-2H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKey
LKXPLOHGQSEPEM-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Ca2+ channel agonist 1
CAS: 1402821-24-2
CID: 69472592
Formula: C19H26N6O
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass354.21680947
Monoisotopic Mass354.21680947
Topological Polar Surface Area87.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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