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Vapiprost (hydrochloride)

CAT: 0804-HY-105120ASize: 1 EachDry Ice: NoHazardous: No
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Description
Vapiprost hydrochloride (GR 32191 hydrochloride) is a thromboxane A2 receptor antagonist. Vapiprost hydrochloride (GR 32191 hydrochloride) inhibits the aggregation and ATP release stimulated with U-46619, collagen or arachidonic acid (AA) at an IC50 of less than 2.1x10-8 M[1].
CAS Number
87248-13-3
Product Name Alternative
GR 32191 (hydrochloride)
UNSPSC
12352005
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/vapiprost-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
OC(CC/C=C\CC[C@@H]1[C@](N2CCCCC2)([H])[C@H](C[C@@H]1OCC3=CC=C(C4=CC=CC=C4)C=C3)O)=O.Cl
Molecular Formula
C30H40ClNO4
Molecular Weight
514.10
References & Citations
[1]Shuichi HORIE, et al. The Potent Inhibition of Vapiprost, a Novel Thromoboxane A2 Receptor Antagonist, on the Secondary Aggregation and ATP Release of Human Platelets.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Vapiprost Hydrochloride

See also: Vapiprost (has active moiety).

CAS Number87248-13-3
PubChem CID6918029
IUPAC Name(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid;hydrochloride
Molecular FormulaC30H40ClNO4
Molecular Weight514.1
Topological Polar Surface Area70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity647
SMILES
C1CCN(CC1)[C@H]2[C@H](C[C@@H]([C@@H]2CC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O.Cl
InChI
InChI=1S/C30H39NO4.ClH/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31;/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34);1H/b2-1-;/t26-,27-,28-,30+;/m0./s1
InChIKey
ZYOBZRTZRQKKNC-UGNABIHOSA-N
Chemical Structure
2D Structure
2D structure of Vapiprost Hydrochloride
CAS: 87248-13-3
CID: 6918029
Formula: C30H40ClNO4
MW: 514.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass513.2645865
Monoisotopic Mass513.2645865
Topological Polar Surface Area70 Ų
Heavy Atom Count36
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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