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Isbogrel

CAT: 0931-T27630-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27630-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89667-40-3
Target
Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein
Purity
0.9958
Bioactivity
Isbogrel (CV4151) is a small molecule thromboxane A2 synthase (TXA2 synthase) inhibitor that can be used to study cardiac arrhythmias, transient ischemic attacks and thrombosis.
Smiles
C(=C\CCCCC(O)=O)(\C1=CC=CC=C1)/C=2C=CC=NC2
Molecular Formula
C18H19NO2
Molecular Weight
281.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isbogrel

Isbogrel is a small molecule drug. Isbogrel has a monoisotopic molecular weight of 281.14 Da.

CAS Number89667-40-3
PubChem CID5284442
IUPAC Name(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Molecular FormulaC18H19NO2
Molecular Weight281.3
XLogP4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity345
SMILES
C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=CN=CC=C2
InChI
InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
InChIKey
UWPBQLKEHGGKKD-GZTJUZNOSA-N
Chemical Structure
2D Structure
2D structure of Isbogrel
CAS: 89667-40-3
CID: 5284442
Formula: C18H19NO2
MW: 281.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass281.141578849
Monoisotopic Mass281.141578849
Topological Polar Surface Area50.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5777339Isbogrel

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