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Sitagliptin

Sitagliptin structure

CAS No:
486460-32-6
Formula:
C16H15F6N5O
Chemical Name:
Sitagliptin
Synonyms:
1-Butanone,3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-,(3R)-;1,2,4-Triazolo[4,3-a]pyrazine,7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-;(3R)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone;(2R)-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;Sitagliptin;3(R)-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-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;(3R)-3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-Amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;Xelevia;Tesavel;Ristaben
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

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Description

Sitagliptin is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts.

Sitagliptin Basic Attributes

Molecular Weight：

407.32

Exact Mass：

407.31

EC Number：

1308068-626-2

Characteristics

PSA：

XLogP3：

1.5

Appearance：

Solid

Density：

1.6±0.1 g/cm3

Melting Point：

114.1-115.7 °C

Boiling Point：

529.9±60.0 °C at 760 mmHg

Flash Point：

274.3±32.9 °C

Refractive Index：

1.590

Water Solubility：

3.40e-02 g/L

Storage Conditions：

Store at 20-25 deg C (68-77 deg F), excursions permitted to 15-30 deg C (59-86 deg F).

Vapor Pressure：

2.91X10-8 mm Hg at 25 deg C (est)

Safety Information

Stability/Shelf Life：

Stable if stored as directed; avoid strong oxidizing agents. /Sitagliptin phosphate monohydrate/

Sitagliptin Use and Manufacturing

Sitagliptin is a new type of anti-type II diabetes drug approved by the FDA and the first dipeptidyl peptidase-IV inhibitor drug used to treat type II diabetes. Sitagliptin's mechanism of action is different from previous oral hypoglycemic drugs. It improves the ability of diabetic patients' own pancreatic β cells to produce insulin and increases insulin secretion when blood sugar rises, thereby controlling the blood sugar level of diabetic patients. Clinical studies have shown that sitagliptin is an orally effective drug with good market prospects. It has a significant hypoglycemic effect when used alone or in combination with metformin and pioglitazone, and it is safe to take, well tolerated, and has fewer adverse reactions.

Computed Properties

Molecular Weight:407.31
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:407.11807909
Monoisotopic Mass:407.11807909
Topological Polar Surface Area:77
Heavy Atom Count:28
Complexity:566
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Related Drugs

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Registered Holders

ZYDUS LIFESCIENCES LTD

United States
Active
MOEHS IBERICA SL

United States
Active
JIANGSU BAJU PHARMACEUTICAL CO LTD

United States
Active

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