N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine | CAS No. 1536200-31-3

N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine

Basic Information

CAS Number

1536200-31-3

Molecular Formula

C17H20ClF4N7O

Molecular Weight

449.84 g/mol

AD

Basic Physical Properties

Boiling Point

587.9±60.0°C at 760 mmHg

CNc1c(cnc(n1)Nc2cnn(c2Cl)[C@H]3CCN(C[C@@H]3F)C4COC4)C(F)(F)F

InChI

InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1

InChIKey

PUXPEQJKNAWNQA-AAEUAGOBSA-N

LogP

3.114300000000002

Topological Polar Surface Area

80.13 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • GNE9605
  • 2,​4-​Pyrimidinediamine, N2-​[5-​chloro-​1-​[(3R,​4R)​-​3-​fluoro-​1-​(3-​oxetanyl)​-​4-​piperidinyl]​-​1H-​pyrazol-​4-​yl]​-​N4-​methyl-​5-​(trifluoromethyl)​-​, rel-
  • GNE-9605

MDL Number

MFCD28976051

FAQ

What is N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3)?

N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine is a chemical compound with the CAS number 1536200-31-3. This compound has a complex structure involving a pyrazole ring, a piperidine ring, and a pyrimidine ring, with various substituents including fluorine, chlorine, and trifluoromethyl groups.

What are the main uses of N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3)?

The main uses of N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine include its application as a pharmaceutical intermediate, particularly in the synthesis of other compounds with therapeutic potential. It is also used in research and development for drug discovery.

Is N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3) safe?

Safety precautions are necessary when handling N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3). It is classified as a potentially hazardous chemical due to its chemical structure and the presence of reactive functional groups. Proper personal protective equipment (PPE) should be worn, and appropriate safety measures should be followed to prevent inhalation, skin contact, and ingestion.

How should N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3) be stored?

N~2~-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N~4~-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine (CAS: 1536200-31-3) should be stored in a cool, dry place away from direct sunlight and heat. It is recommended to use air-tight containers to prevent exposure to moisture and air. Storage areas should be well-ventilated to minimize the risk of fire and explosion. Handling should be conducted with care to avoid spillage and ensure proper disposal of waste materials.

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