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McN5691

CAT: 0804-HY-U00218-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00218-01Size:1 mg
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Description
McN5691 is a voltage-sensitive calcium channel blocker.
CAS Number
99254-95-2
Product Name Alternative
RWJ26240
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/McN5691.html
Solubility
10 mM in DMSO
Smiles
COC1=C(OC)C=CC(CCN(C)C(C)CCC(C=C(OC)C=C2)=C2C#CC3=CC=CC=C3)=C1
Molecular Formula
C30H35NO3
Molecular Weight
457.60
References & Citations
[1]Flaim SF, et al. Structurally novel antihypertensive compound, McN-5691, is a calcium channel blocker in vascular smooth muscle. J Pharmacol Exp Ther. 1991 Jan;256 (1) :279-88.|[2]Wu WN, et al. Excretion and metabolism of the antihypertensive agent, RWJ-26240 (McN-5691) in dogs. Drug Metab Dispos. 1998 Feb;26 (2) :115-25.|[3]Flaim SF, et al. Effects of the novel calcium channel blocker, McN-5691, on cardiocirculatory dynamics and cardiac output distribution in conscious spontaneously hypertensive rat. J Cardiovasc Pharmacol. 1988 Apr;11 (4) :489-500.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mcn 5691

structure given in first source

CAS Number99254-95-2
PubChem CID127269
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methylbutan-2-amine
Molecular FormulaC30H35NO3
Molecular Weight457.6
XLogP6.9
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity633
SMILES
CC(CCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)N(C)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C30H35NO3/c1-23(31(2)20-19-25-13-18-29(33-4)30(21-25)34-5)11-14-27-22-28(32-3)17-16-26(27)15-12-24-9-7-6-8-10-24/h6-10,13,16-18,21-23H,11,14,19-20H2,1-5H3
InChIKey
HQDXNTRZJRNPLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcn 5691
CAS: 99254-95-2
CID: 127269
Formula: C30H35NO3
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass457.26169398
Monoisotopic Mass457.26169398
Topological Polar Surface Area30.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP04317-01McN5691

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