Omarigliptin | CAS No. 1226781-44-7

Omarigliptin

Basic Information

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CAS Number

1226781-44-7

Molecular Formula

C17H20F2N4O3S

Molecular Weight

398.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CS(=O)(=O)N1C=C2CN(CC2=N1)C3CC(C(OC3)C4=C(C=CC(=C4)F)F)N

InChI

InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1

InChIKey

MKMPWKUAHLTIBJ-ISTRZQFTSA-N

LogP

1.142099999999999

Topological Polar Surface Area

90.45 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

649

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MK－3012
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-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...
MK-3102
Omarigliptin
Omarigliptin (MK3102)
(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
MK3102
UNII-CVP59Q4JE1
CVP59Q4JE1
(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
(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 [USAN:INN]
AK170357
Tube
OMARIGLIPTIN
1226781-44-7
MKMPWKUAHLTIBJ-ISTRZQFTSA-N
NS00073001
DS-7574
DB11992
OMARIGLIPTIN [WHO-DD]
(2R,3S,5R)-2-(2,5-DIFLUOROPHENYL)-5-(2-(METHYLSULFONYL)PYRROLO[3,4-C]PYRAZOL-5(2H,4H,6H)-YL)TETRAHYDRO-2H-PYRAN-3-AMINE
OMARIGLIPTIN [INN]
Omarigliptin (JAN/USAN/INN)
L10002
D10317
(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
MK-3102Omarigliptin?
Omarigliptin (MK-3102)

MDL Number

MFCD22573261

FAQ

What are the physical and chemical properties of Omarigliptin (CAS: 1226781-44-7)?

Omarigliptin is a crystalline compound with a molecular weight of approximately 330.35 g/mol. It is slightly soluble in water and ethanol. Omarigliptin is relatively stable under normal conditions but reacts with strong oxidizing agents. It has a melting point of 130-132°C. The compound shows low reactivity towards common organic reagents.

How is Omarigliptin (CAS: 1226781-44-7) typically synthesized?

Omarigliptin is synthesized via a multi-step process involving protection/deprotection steps and key functional group transformations. The key reaction is a Michael addition followed by a hydrolysis step. The synthesis typically employs catalytic amounts of palladium and uses a solvent like acetonitrile. The overall yield is around 70% with good selectivity.

What industries use Omarigliptin (CAS: 1226781-44-7)?

Omarigliptin is primarily used in the pharmaceutical industry. It is a DPP-4 inhibitor used in the treatment of type 2 diabetes. Additionally, it has potential applications in the development of other therapeutic agents for metabolic disorders. Omarigliptin is not widely used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling Omarigliptin (CAS: 1226781-44-7)?

When handling Omarigliptin, appropriate personal protective equipment (PPE) such as gloves and goggles should be worn. Work should be conducted in a well-ventilated area or with the use of a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.