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WIN 64338

CAT: 0804-HY-101368Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-101368Size:1 Each
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Description
WIN 64338 is a non-peptide bradykinin B2 receptor antagonist. WIN 64338 can inhibit bradykinin-evoked trigeminal nerve stimulation[1].
CAS Number
151039-63-3
UNSPSC
12352005
Target
Bradykinin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Neurological Disease
Smiles
O=C(NC1=CC=C(C[P+](CCCC)(CCCC)CCCC)C=C1)[C@@H](/N=C(NC2CCCCC2)/NC3CCCCC3)CC4=CC=C5C=CC=CC5=C4.[Cl-]
Molecular Formula
C45H68ClN4OP
Molecular Weight
747.47
References & Citations
[1]Hall JM, et al. Inhibition of bradykinin-evoked trigeminal nerve stimulation by the non-peptide bradykinin B2 receptor antagonist WIN 64338 in vivo and in vitro. Br J Pharmacol. 1995 Dec;116 (8) :3164-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Bradykinin B2 Receptor (B2R)

Chemical Information

Win 64338

structure given in first source; bradykinin receptor antagonist

CAS Number151039-63-3
PubChem CID132927
IUPAC Nametributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium chloride
Molecular FormulaC45H68ClN4OP
Molecular Weight747.5
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count52
Formal Charge0
Complexity976
SMILES
CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=NC4CCCCC4)NC5CCCCC5.[Cl-]
InChI
InChI=1S/C45H67N4OP.ClH/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41;/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50);1H/t43-;/m0./s1
InChIKey
MJWYKJXHACNJCD-SXWPEPABSA-N
Chemical Structure
2D Structure
2D structure of Win 64338
CAS: 151039-63-3
CID: 132927
Formula: C45H68ClN4OP
MW: 747.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight747.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass746.4819275
Monoisotopic Mass746.4819275
Topological Polar Surface Area65.5 Ų
Heavy Atom Count52
Formal Charge0
Complexity976
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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