2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile | CAS No. 865759-25-7

2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile

Basic Information

CAS Number

865759-25-7

Molecular Formula

C18H20FN5O2

Molecular Weight

357.38 g/mol

AD

Basic Physical Properties

Boiling Point

519.0±60.0°C at 760 mmHg

Cn1c(=O)cc(n(c1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N

InChI

InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1

InChIKey

IWYJYHUNXVAVAA-OAHLLOKOSA-N

LogP

1.29888

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Trelagliptin
  • Trelagliptin(syr472)
  • Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H) -pyrimidinyl]methyl]-4-fluoro-
  • Trelagliptin (R)-2-[[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]methyl]-4-fluorobenzonitrile
  • (S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-fluorobenzonitrile
  • Trelagliptin Isomer Impurity
  • Trelagliptin free base
  • 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
  • Trelagliplin
  • SYR 472
  • SYR-472
  • Trelagliptin (USAN)
  • UNII-Q836OWG55H
  • Trelagliptin IMpurity

MDL Number

MFCD22572746

FAQ

What is 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7)?

2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7) is a synthetic organic compound characterized by its complex structure, which includes a piperidine ring, a pyrimidine core, and a fluorobenzonitrile moiety. It is typically a solid at room temperature and has a molecular formula of C16H18FN5O2. This compound is known for its potential applications in medicinal chemistry due to its versatile functional groups.

What are the main uses of 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It has applications in the synthesis of various bioactive agents and may be used in the treatment of diseases related to enzyme inhibition or receptor modulation. Additionally, it is used in organic synthesis and as a building block for more complex chemical structures.

Is 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7) safe?

Safety of 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7) depends on its application and exposure conditions. It is generally considered hazardous due to its chemical complexity and potential reactivity. Proper handling with protective equipment is recommended, and it should be used in controlled environments to minimize risk. Safety data should be referenced for specific guidelines.

How should 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile (CAS: 865759-25-7) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is typically kept in a sealed container at a temperature below 25°C. Due to its chemical sensitivity, it is important to avoid exposure to air and humidity to maintain stability and prevent degradation.

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