Momelotinib

Base Information

• Chemical Name: Momelotinib
• CAS No.: 1056634-68-4
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.467
• Hs Code.: 2934999090
• Mol file: 1056634-68-4.mol

Synonyms:CYT387;

Chemical Property of Momelotinib

Chemical Property:

• Appearance/Colour: Solid
• PKA: 10.94±0.46(Predicted)
• PSA: 103.17000
• Density: 1.292 g/cm³
• LogP: 3.50608
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥20.7 mg/mL in DMSO

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyt387 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: Momelotinib (CYT387) is an ATP-competitive inhibitor of JAK1/JAK2 with IC50 of 11 nM/18 nM, ~10-fold selectivity versus JAK3. Phase 3.
• Uses: CYT387 inhibits Janus kinase 1 (JAK1) and Janus kinase (JAK2). These kinases are part of the JAK-STAT pathway and dysregulated functions are involved with hematology, oncology and inflammatory diseases.

Technology Process of Momelotinib

There total 18 articles about Momelotinib 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: 91.7%

4-(2-(4-(morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid (945749-71-3) + 2-aminoacetonitrile (540-61-4) → Momelotinib (1056634-68-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 90.0%

4-(2-(4-(morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid (945749-71-3) + 2-aminoacetonitrile hydrochloride (6011-14-9) → Momelotinib (1056634-68-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.3184/174751916X14682453281177

Reference yield: 77.0%

1-(4-morpholinophenyl)guanidine (247234-41-9) + N-(cyanomethyl)-4-(3-(dimethylamino)acryloyl)benzamide → Momelotinib (1056634-68-4)

Guidance literature:

In acetonitrile; for 48h; Reflux;

DOI:10.3987/COM-18-13961

upstream raw materials:

4-(2-(4-(morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid

2-aminoacetonitrile hydrochloride

1-morpholino-4-nitrobenzene

4-morpholino-4-yl-phenylamine

Refernces

• 1、 Zhao, Zhiwei,Liu, Mingjie,Liu, Yaowei,Wang, Yuan,Wu, Chuntao,Mao, Yongjun,Wang, Han,Xu, Jingli. "New and convergent synthesis of momelotinib dihydrochloride". . p. 1638 - 1643. Retrieved 2018.
• 2、 Dai, Ling,Yu, Shuling,Lv, Ningning,Ye, Xuanzeng,Shao, Yinlin,Chen, Zhongyan,Chen, Jiuxi. "Synthesis of Imidazoles and Oxazoles via a Palladium-Catalyzed Decarboxylative Addition/Cyclization Reaction Sequence of Aromatic Carboxylic Acids with Functionalized Aliphatic Nitriles". supporting information. p. 5664 - 5668. Retrieved 2021/08/01.
• 3、 -. "Momelotinib preparation method". . . Retrieved 2018/11/22.