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Omarigliptin

Omarigliptin structure

CAS No:
1226781-44-7
Formula:
C17H20F2N4O3S
Chemical Name:
Omarigliptin
Synonyms:
2H-Pyran-3-amine,2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-,(2R,3S,5R)-;(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine;(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine;Omarigliptin;1446021-64-2
Categories:
Biochemical Engineering > Inhibitors

Description

Omarigliptin(MK-3102) is a potent, selective and long-acting DPP-4 inhibitor with IC50 of 1.6 nM; highly selective over allproteases tested (IC50 > 67 μM).IC50 value: 1.6 nM [1]Target: DPP-4 inhibitorin vitro: Omarigliptin has weak ion channel activity (IC50 > 30 μM at IKr, Cav1.2, and Nav1.5). An expansive selectivity counterscreen (168 radioligand binding or enzymatic assays) was carried out at MDS Pharma. An IC50 > 10 μM was obtained in all assays. in vivo: When orally administered 1

Omarigliptin is a pyrrolopyrazole.|Omarigliptin has been used in trials studying the treatment of Type 2 Diabetes Mellitus and Chronic Renal Insufficiency.

Omarigliptin Basic Attributes

Molecular Weight：

398.43

Exact Mass：

398.43

EC Number：

1592732-453-0

UNII：

CVP59Q4JE1

DSSTox ID：

DTXSID70153678

Characteristics

PSA：

98.8

XLogP3：

0.3

Density：

1.6±0.1 g/cm3

Flash Point：

274.0±32.9 °C

Refractive Index：

1.689

Safety Information

Precautionary statement(s)：

P260, P314, P501

Hazard Statements：

H373

Drug Information

MeSH Entry Terms：

2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo(3,4-c)pyrazol-5(4H)-yl)tetrahydro-2H-pyran-3-amine

Computed Properties

Molecular Weight:398.4
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:398.12241801
Monoisotopic Mass:398.12241801
Topological Polar Surface Area:98.8
Heavy Atom Count:27
Complexity:649
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1226781-44-7

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Omarigliptin (MK-3102) CAS1226781-44-7

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CAS No.: 1226781-44-7

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Content: 99%

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