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Cav 2.2/3.2 blocker 1

CAT: 0804-HY-147639Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147639Size:1 Each
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Description
Cav 2.2/3.2 blocker 1 (Compound 9e) is a neuronal calcium channel blocker with IC50 values of 78 μM and 80 μM against Cav2.2 and Cav3.2, respectively. Cav 2.2/3.2 blocker 1 can penetrate the CNS[1].
CAS Number
2987640-67-3
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cav-2-2-3-2-blocker-1.html
Solubility
10 mM in DMSO
Smiles
O=C(N1C2=CC=CC=C2CCC3=CC=CC=C31)C4=CC=C(OCCCN5CCOCC5)C=C4
Molecular Formula
C28H30N2O3
Molecular Weight
442.55
References & Citations
[1]Cardoso FC, et al. The neuronal calcium ion channel activity of constrained analogues of MONIRO-1. Bioorg Med Chem. 2020 Sep 15;28 (18) :115655.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
N-type calcium channel; T-type calcium channel

Chemical Information

Cav 2.2/3.2 blocker 1
CAS Number2987640-67-3
PubChem CID162673013
IUPAC Name5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
Molecular FormulaC28H30N2O3
Molecular Weight442.5
XLogP4.8
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity590
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)OCCCN5CCOCC5
InChI
InChI=1S/C28H30N2O3/c31-28(24-12-14-25(15-13-24)33-19-5-16-29-17-20-32-21-18-29)30-26-8-3-1-6-22(26)10-11-23-7-2-4-9-27(23)30/h1-4,6-9,12-15H,5,10-11,16-21H2
InChIKey
VFEFRFUXSHOSQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cav 2.2/3.2 blocker 1
CAS: 2987640-67-3
CID: 162673013
Formula: C28H30N2O3
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass442.22564282
Monoisotopic Mass442.22564282
Topological Polar Surface Area42 Ų
Heavy Atom Count33
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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