823817-58-9

Basic information

• Product Name: (S)-Sitagliptin Phosphate
• Synonyms: (S)-Sitagliptin Phosphate;7-[(3S)-3-AMino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoroMethyl)-1,2,4-triazolo[4,3-a]pyrazine-d4 Phosphate;ent-Sitagliptin Phosphate;7-[(3S)-3-AMino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoroMethyl)-1,2,4-triazolo[4,3-a]pyrazine Phosphate;ent-Sitagliptin-d4 Phosphate;Sitagliptin (S)-IsoMer Phosphate Salt;7-[(3S)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine phosphate (1:1);Sitagliptin S-Isomer Phosphate
• CAS NO: 823817-58-9
• Molecular Formula: C₁₆H₁₅F₆N₅O*H₃O₄P
• Molecular Weight: 503.2929202
• Product Categories: Aromatics;Chiral Reagents;Heterocycles;Impurities;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 823817-58-9.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• CAS DataBase Reference: (S)-Sitagliptin Phosphate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-Sitagliptin Phosphate(823817-58-9)
• EPA Substance Registry System: (S)-Sitagliptin Phosphate(823817-58-9)

Safety Data

• Hazardous Substances Data: 823817-58-9(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 823817-58-9 differently. You can refer to the following data:
1. Labelled ent-Sitagliptin Phosphate (S491025). ent-Sitagliptin Phosphate is the S-isomer of Sitagliptin Phosphate (S491000), as an impurity.
2. ent-Sitagliptin Phosphate (Sitagliptin EP Impurity A) is the S-isomer of Sitagliptin Phosphate (S491000), as an impurity.

Upstream product

• 823817-56-7 (R/S)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine 
• 486460-32-6 sitagliptin 
• 823817-57-8 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate 

Downstream Products

• 486460-32-6 sitagliptin 
• 486459-71-6 Sitagliptin hydrochloride 
• 1240038-78-1 c 

Relevant articles and documents

SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF

The present invention relates to an improved process for preparation of Sitagliptin or pharmaceutically acceptable salts thereof. The present invention further relates to novel polymorphs of Sitagliptin salts and process for preparation thereof.

CRYSTALLINE FORMS OF SITAGLIPTIN PHOSPHATE

A Sitagliptin phosphate characterized by data selected from the group consisting of: a powder XRD pattern with peaks at 4.7, 13.5, 17.7, 18.3, and 23.7 ±0.2 degrees two theta; a powder XRD pattern with peaks at about 4.7, 13.5, and 15.5 ±0.2 degrees two theta and at least another two peaks selected from the following list: 14.0, 14.4, 18.3, 19.2, 19.5 and 23.7 ±0.2 degrees two theta; and a powder XRD pattern with peaks at about 13.5, 19.2, and 19.5 ±0.2 degrees two theta and at least another two peaks selected from the following list: 4.7, 14.0, 15.1, 15.5, 18.3, and 18.7 ±0.2 degrees two theta; a powder XRD pattern with peaks at about 13.5, 15.5, 19.2, 23.7, and 24.4 ±0.2 degrees two theta; and a powder XRD pattern with peaks at about 4.65, 13.46, 17.63, 18.30, and 23.66 ±0.10 degrees two theta, processes for preparing said Sitagliptin crystalline form, and pharmaceutical compositions thereof, are provided.