Satigrel
Basic information
- CAS
111753-73-2- Standard SMILES
COc1ccc(C(=C(C#N)CCC(=O)O)c2ccc(OC)cc2)cc1- InChIKey
GRVCTHTXJDYIHB-UHFFFAOYSA-N- Molecular formula
- C20H19NO4
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.13140809
Overview
Satigrel is a small molecule drug. Satigrel has a monoisotopic molecular weight of 337.13 Da.
Names & identifiers
- Preferred name
- Satigrel
- IUPAC
- 4-cyano-5,5-bis(4-methoxyphenyl)pent-4-enoic acid
- English name
- Satigrel
- Molecular formula
- C20H19NO4
- Molecular weight
- 337.373
Names & synonyms
Satigrel111753-73-24-Cyano-5,5-bis(4-methoxyphenyl)-4-pentenoic acidXPV71VQL72E-55104-Pentenoic acid, 4-cyano-5,5-bis(4-methoxyphenyl)-DTXSID00149721satigrelumRefChem:181490DTXCID1072212Satigrel [INN]4-cyano-5,5-bis(4-methoxyphenyl)pent-4-enoic acid
Show more names
E55104-Cyano-5,5-bis(p-methoxyphenyl)-4-pentenoic acidCCRIS 7283UNII-XPV71VQL72E 55105,5-Bis(4-methoxyphenyl)-4-cyano-4-pentenoic acidSATIGREL [JAN]SATIGREL [MI]
Database identifiers
- CAS
111753-73-2- PubChem CID
- 65913
- DTXSID
DTXSID00149721- ChEMBL
CHEMBL2107466- UNII
- XPV71VQL72
- Nikkaji
- J344.563A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Melting point
- 124 · 124-125°
- form
- Solid
- color
- White to off-white
- FDA UNII
- 71 VQL72 · XPV71VQL72
- Comptox DTXSID
- 149721 · DTXSID00149721
- Toxicity
- 50 oral · LD50 oral in rat: 337mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 337mg/kg
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
UsesSatigrel (E5510) is a potent inhibitor of platelet aggregation. Satigrel inhibits collagen- and arachidonic acid-induced platelet aggregation through preventing thromboxane A2 synthesis by selective inhibition of the target enzyme, PGHS1, which exists in platelets. Satigrel inhibits PGHS1 (IC50: 0.081 μM) and PGHS2 (IC50: 5.9 μM). Satigrel is against Type III PDE, Type V and Type II (IC50: 15.7 μM, 39.8 μM and 62.4 μM, respectively)[1].
Related reactions
17 records
Compound notes
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