4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone | CAS No. 137530-41-7

4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone

Basic Information

CAS Number

137530-41-7

Molecular Formula

C8H10FN3O3S

Molecular Weight

247.25 g/mol

AD

Basic Physical Properties

c1c(c(nc(=O)n1[C@H]2CS[C@H](O2)CO)N)F

InChI

InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1

InChIKey

XQSPYNMVSIKCOC-RITPCOANSA-N

LogP

-0.45500000000000024

Topological Polar Surface Area

90.37 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Synonyms & References

English

  • (+)-Emtricitabine
  • 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl ]-2(1H)-pyrimidinone
  • ent-EMtricitabine
  • (+)-(2S,5R)-5-fluoro-1-< 2-(hydroxymethyl)-1,3-oxathiolan-5-yl> cytosine
  • 2',3'-dideoxy-3'-thia-5-fluorocytidine
  • 3-ethyl-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-one
  • 4-amino-5-ethyl-2,4-dihydro-[1,2,4]triazol-3-one
  • 4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
  • 5-fluoro-1-(2R,5S)-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine
  • AC1L8NKC
  • CTK1D2626
  • NCI60_026357
  • NSC674324
  • SureCN9366213
  • 4-amino-5-fluoro-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one

MDL Number

MFCD00870152

FAQ

What regulatory guidelines apply to 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (CAS: 137530-41-7)?

4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone is subject to regulatory guidelines under the GHS classification system for hazardous chemicals. It must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals in the European Union. The FDA and EPA may also have specific requirements for its handling, storage, and disposal due to its potential toxicity and environmental impact.

Are there alternatives to 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (CAS: 137530-41-7) in synthesis?

Alternatives to 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone include other pyrimidine derivatives with similar functional groups. Common substitutes include 4-chloro-5-fluoro-1H-pyrimidine and 4-amino-5-fluoro-1H-pyrimidine, which may be used depending on the desired reaction outcome and synthesis conditions.

What is the market or research trend for 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (CAS: 137530-41-7)?

The market for 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone is currently growing due to increasing research in drug discovery and development. There is a trend towards exploring its potential as a therapeutic agent in various diseases, particularly for its anti-inflammatory and antiviral properties. Price trends are influenced by demand and production costs, with a focus on optimizing synthesis methods and reducing environmental impact.

How should waste containing 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (CAS: 137530-41-7) be handled?

Waste containing 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone should be collected in appropriate containers and stored separately. It should be disposed of through incineration or professional waste disposal services that comply with local regulations. Environmental protection precautions include ensuring containment to prevent spills and proper labeling of waste containers to avoid accidental exposure. Always follow local hazardous waste disposal guidelines and consult with environmental health and safety officers for specific instructions.

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