(Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-

Base Information

• Chemical Name: (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-
• CAS No.: 1421919-75-6
• Molecular Formula: C16H10F8N4O
• Molecular Weight: 426.269
• Mol file: 1421919-75-6.mol

Synonyms:(Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-;KPT-276;2-Propen-1-one, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-1-(3,3-difluoro-1-azetidinyl)-, (2Z)-

Chemical Property of (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-

Chemical Property:

• Boiling Point: 477.2±55.0 °C(Predicted)
• PKA: 0.59±0.50(Predicted)
• PSA: 51.02000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 3.86880
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥19.85 mg/mL in DMSO

Purity/Quality:

98% min ^*data from raw suppliers

KPT-276 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: KPT-276 is an orally bioavailable inhibitor of Exportin 1 (XPO1/CRM1) with anticancer activity. In vivo, KPT-276 (150 mg/kg) increases survival and reduces spleen weight and white blood cell count in an MV4-11 acute myeloid leukemia (AML) mouse xenograft model. It also reduces tumor volume and increases survival in a BT 145 glioblastoma mouse xenograft model when administered at a dose of 75 mg/kg.

Technology Process of (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-

There total 7 articles about (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3- 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: 98.9%

3,3-difluoroazetidine hydrochloride salt + (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylic acid (1388842-44-1) → (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one (1421919-75-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate; at -10 ℃; for 1.5h;

Reference yield: 33.0%

3,3-difluoroazetidine hydrochloride (288315-03-7) + (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylic acid (1388842-44-1) → (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one (1421919-75-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 25 ℃;

Reference yield: 25.64%

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole (1333154-10-1) + (Z)-1-(3,3-difluoroazetidin-1-yl)-3-iodoprop-2-en-1-one (1421920-40-2) → (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one (1421919-75-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 20 ℃; Time;

upstream raw materials:

(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylic acid

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole

(Z)-1-(3,3-difluoroazetidin-1-yl)-3-iodoprop-2-en-1-one

(Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate

Refernces

• 1、 -. "HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF". Page/Page column 86-87. . Retrieved 2013/03/26.