ATB 346

Base Information

• Chemical Name: ATB 346
• CAS No.: 1226895-20-0
• Molecular Formula: C21H19NO3S
• Molecular Weight: 365.44546
• Mol file: 1226895-20-0.mol

Synonyms:ATB 346;ABT-346;6-Methoxy-alpha-methyl-2-naphthaleneacetic acid 4-(aminothioxomethyl)phenyl ester;6-Methoxy-alpha-methyl-2-naphthaleneacetic acid 4-(aminothioxomethyl)phenyl ester ATB 346;ATB 346 6-Methoxy-alpha-methyl-2-naphthaleneacetic acid 4-(aminothioxomethyl)phenyl ester;ATB-346, >=98%;ATB 346,1226895-20-0

Chemical Property of ATB 346

Chemical Property:

• Boiling Point: 561.4±60.0 °C(Predicted)
• PKA: 12.37±0.29(Predicted)
• PSA: 93.64000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 4.89200
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥18.27 mg/mL in DMSO

Purity/Quality:

99%, ^*data from raw suppliers

ATB-346 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: ATB-346 is a non-steroidal anti-inflammatory drug (NSAID) that releases hydrogen sulfide (H2S) and a derivative of naproxen . It inhibits the proliferation of, and induces apoptosis in, A375 melanoma cells when used at a concentration of 100 μM. ATB-346 decreases prostaglandin E2 (PGE2) production in inflammatory exudates, reduces paw edema, and increases plasma levels of sulfide in a mouse model of zymosan-induced arthritis. It reduces the size of acetic acid-induced gastric ulcers in mice when administered at a dose of 60 μmol/kg. ATB-346 (30 μmol/kg) improves motor function in a mouse model of spinal cord injury.

Technology Process of ATB 346

There total 3 articles about ATB 346 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: 61.0%

4-carbamoyl-phenyl 2-(2-methoxy-naphthalen-6-yl)-propanoate (1000700-40-2) → 2-(6-methoxy-naphthalen-2-yl)-propionic acid 4-thiocarbamoyl-phenyl ester (1226895-20-0)

Guidance literature:

With Lawessons reagent; In benzene; at 60 ℃; for 4h;

Reference yield: 42.0%

4-hydroxythiobenzamide (25984-63-8) + (2S)-2-(6-methoxy(2-naphthyl))propanoic acid (22204-53-1) → C21H19NO3S (1226895-20-0)

Guidance literature:

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid; With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

4-hydroxythiobenzamide; In acetonitrile; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.06.012

Reference yield:

YZ-597 → 2-(6-methoxy-naphthalen-2-yl)-propionic acid 4-thiocarbamoyl-phenyl ester (1226895-20-0)

Guidance literature:

With GLUTATHIONE; In aq. phosphate buffer; dimethyl sulfoxide; at 20 ℃; pH=7.4; Reagent/catalyst;

upstream raw materials:

4-carbamoyl-phenyl 2-(2-methoxy-naphthalen-6-yl)-propanoate

4-hydroxythiobenzamide

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid

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