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5-Methylurapidil (Standard)

CAT: 0804-HY-120296RSize: 1 EachDry Ice: NoHazardous: No
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Description
5-Methylurapidil (Standard) is the analytical standard of 5-Methylurapidil. This product is intended for research and analytical applications. 5-Methylurapidil isα1A‐adrenoceptor antagonist. 5-Methylurapidil can be used for the research of cardiovascular diseases such as hypertension and heart failure[1].
CAS Number
34661-85-3
UNSPSC
12352100
Target
Adrenergic Receptor; Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Cardiovascular Disease
Smiles
O=C1N(C(C(C)=C(N1C)NCCCN2CCN(CC2)C3=CC=CC=C3OC)=O)C
Molecular Formula
C21H31N5O3
Molecular Weight
401.50
References & Citations
[1]Arce C, et al. Activation of α1A -adrenoceptors desensitizes the rat aorta response to phenylephrine through a neuronal NOS pathway, a mechanism lost with ageing. Br J Pharmacol. 2017 Jul;174 (13) :2015-2030.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-Methylurapidil
CAS Number34661-85-3
PubChem CID5640
IUPAC Name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione
Molecular FormulaC21H31N5O3
Molecular Weight401.5
XLogP1.9
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity630
SMILES
CC1=C(N(C(=O)N(C1=O)C)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
InChIKey
HIHZDNKKIUQQSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylurapidil
CAS: 34661-85-3
CID: 5640
Formula: C21H31N5O3
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass401.24268987
Monoisotopic Mass401.24268987
Topological Polar Surface Area68.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity630
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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