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Ca2+ channel agonist 1

CAT: 0804-HY-41076-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-41076-01Size:1 mg
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Description
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.
CAS Number
1402821-24-2
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Calcium Channel; CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Ca2_addition_-channel-agonist-1.html
Concentration
10mM
Purity
99.71
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC[C@@H](NC1=NC(NCC2=CC=CC=C2)=C3C(N(CCC)C=N3)=N1)CO
Molecular Formula
C19H26N6O
Molecular Weight
354.45
Precautions
H315, H319
References & Citations
[1]Liang M, et al. Synthesis and biological evaluation of a selective N- and p/q-type calcium channel agonist. ACS Med Chem Lett. 2012 Oct 1;3 (12) :985-990.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK2; N-type calcium channel

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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