Gavestinel

Base Information

• Chemical Name: Gavestinel
• CAS No.: 153436-22-7
• Molecular Formula: C18H12 Cl2 N2 O3
• Molecular Weight: 375.211
• UNII: 318X4QY113
• DSSTox Substance ID: DTXSID90870012
• Nikkaji Number: J1.631.727F,J912.170F
• Wikipedia: Gavestinel
• NCI Thesaurus Code: C74117
• Metabolomics Workbench ID: 149948
• ChEMBL ID: CHEMBL44793
• Mol file: 153436-22-7.mol

Synonyms:1H-indole-2-carboxylic acid, 4,6-dichloro-3-((1E)-3-oxo-3-(phenylamino)-1-propenyl)-, monosodium salt;3-(2-((phenylamino)carbonyl)ethenyl)-4,6-dichloroindole-2-carboxylic acid;4,6-dichloro-3-((E)-2-(phenylcarbamoyl)vinyl)indole-2-carboxylic acid;Gavestinel;gavestinel sodium;GV 150526A;GV-150526A;GV-150526X;GV150526;GV150526A

Chemical Property of Gavestinel

Chemical Property:

• Vapor Pressure: 1.24E-20mmHg at 25°C
• Boiling Point: 701.1°Cat760mmHg
• Flash Point: 377.8°C
• PSA: 85.02000
• Density: 1.561g/cm³
• LogP: 3.56310
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 374.0224976
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

99%, ^*data from raw suppliers

Gavestinel ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O
• Uses: Treatment of stroke (N-methylD-aspartate NMDA receptor antagonist).

Technology Process of Gavestinel

There total 1 articles about Gavestinel which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

GV150526 (153436-03-4) → gavestinel (153436-22-7)

Guidance literature:

With lithium hydroxide; In ethanol; water;

Reference yield:

Chloromethyl pivalate (18997-19-8) + gavestinel (153436-22-7) → (E)-2-(t-Butylcarbonyloxymethyl)3-[2-(phenylaminocarbonyl)ethenyl]-4,6-dichloroindole-2-carboxylate (153436-41-0)

Guidance literature:

With tetrabutyl-ammonium chloride; In N,N-dimethyl-formamide;

Reference yield:

gavestinel (153436-22-7) → (E)-3-[2-(phenylcarbamoyl)ethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid sodium salt

Guidance literature:

In methanol;

upstream raw materials:

GV₁₅₀₅₂₆

Downstream raw materials:

(E)-2-(t-Butylcarbonyloxymethyl)3-[2-(phenylaminocarbonyl)ethenyl]-4,6-dichloroindole-2-carboxylate

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