Vapiprost

CAT: 0013-GTR19200279-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19200279-01Size:25 mg

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Description

Vapiprost is a dual antagonist of thromboxane and prostaglandin receptors. It is used in research to investigate vascular and inflammatory processes, with applications in both in vitro binding assays and in vivo models of thrombosis and asthma.

CAS Number

85505-64-2

Field of Research

Immunology & Inflammation, Pharmacology & Drug Discovery

Smiles

C (C/C=C\CCC (O) =O) [C@@H]1[C@H] ([C@@H] (O) C[C@@H]1OCC2=CC=C (C=C2) C3=CC=CC=C3) N4CCCCC4

Molecular Formula

C30H39NO4

Molecular Weight

477.64

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Vapiprost

Vapiprost is a small molecule drug. Vapiprost has a monoisotopic molecular weight of 477.29 Da.

CAS Number	85505-64-2
PubChem CID	6918030
IUPAC Name	(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
Molecular Formula	C30H39NO4
Molecular Weight	477.6
XLogP	2.8
Topological Polar Surface Area	70
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	35
Formal Charge	0
Complexity	647

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

InChI

InChI=1S/C30H39NO4/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)/b2-1-/t26-,27-,28-,30+/m0/s1

InChIKey

GQGRDYWMOPRROR-XUSMOFMBSA-N

Chemical Structure

2D Structure

CAS: 85505-64-2

CID: 6918030

Formula: C30H39NO4

MW: 477.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	477.28790873
Monoisotopic Mass	477.28790873
Topological Polar Surface Area	70 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	647
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
KDA50564-01	Vapiprost
T35038	Vapiprost hydrochloride
HY-105120A	Vapiprost (hydrochloride)

Vapiprost

Chemical Information

Alternative Products

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