Tak-715

Base Information

• Chemical Name: Tak-715
• CAS No.: 303162-79-0
• Molecular Formula: C24H21N3OS
• Molecular Weight: 399.516
• Hs Code.: 2934999090
• European Community (EC) Number: 803-674-1
• UNII: WE92U03C5Z
• DSSTox Substance ID: DTXSID20184412
• Nikkaji Number: J2.407.427G
• Wikidata: Q27163230
• Pharos Ligand ID: VUKDQ4MRARYH
• ChEMBL ID: CHEMBL363648
• Mol file: 303162-79-0.mol

Synonyms:N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide;N-(4-(2-ethyl-4-(3-methylphenyl)-5-thiazolyl)-2-pyridyl)benzamide;TAK-715

Chemical Property of Tak-715

Chemical Property:

• Boiling Point: 491.036 °C at 760 mmHg
• Flash Point: 250.77 °C
• PSA: 86.61000
• Density: 1.233 g/cm³
• LogP: 6.37920
• Storage Temp.: Sealed in dry,2-8°C
• Solubility.: DMSO: >15mg/mL
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 399.14053348
• Heavy Atom Count: 29
• Complexity: 538

Purity/Quality:

98% min ^*data from raw suppliers

TAK 715 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C
• Recent EU Clinical Trials: A Randomized, Double-Blind, Placebo-Controlled Dose-Ranging Study to Evaluate the Safety and Efficacy of Oral TAK-715 in the Treatment of the Signs and Symptoms of Rheumatoid Arthritis
• Uses: TAK 715 is a p38 MAPK inhibitor for p38α and p38β but not for p38γ and p38δ.

Technology Process of Tak-715

There total 7 articles about Tak-715 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:

N-benzoyl-N-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide → N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-pyridin-2-yl]benzamide (303162-79-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 40 ℃; for 14h;

DOI:10.1021/jm050165o

Reference yield:

4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-pyridin-2-ylamine (303162-39-2) → N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-pyridin-2-yl]benzamide (303162-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran / 3 h / 20 °C

2: 59.8 g / HCl / tetrahydrofuran; H₂O / 14 h / 40 °C

With hydrogenchloride; triethylamine; In tetrahydrofuran; water;

DOI:10.1021/jm050165o

Reference yield:

2-(2-tert-butoxycarbonylamino-pyridin-4-yl)-1-(3-methylphenyl)ethanone (303162-37-0) → N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-pyridin-2-yl]benzamide (303162-79-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 86 percent / Br₂; AcOH / 3 h / 80 °C

2: 60 percent / dimethylformamide / 14 h / 20 °C

3: Et₃N / tetrahydrofuran / 3 h / 20 °C

4: 59.8 g / HCl / tetrahydrofuran; H₂O / 14 h / 40 °C

With hydrogenchloride; bromine; acetic acid; triethylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1021/jm050165o

upstream raw materials:

4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-pyridin-2-ylamine

2-(2-tert-butoxycarbonylamino-pyridin-4-yl)-1-(3-methylphenyl)ethanone

1-(3-methylbenzoyl)-2-methylaziridine

tert-Butyl N-(4-methyl-pyridin-2-yl)carbamate

Refernces

• 1、 -. "5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF". Example 16. . Retrieved 2008/06/13.