4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone | CAS No. 114748-57-1

4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone

Basic Information

CAS Number

114748-57-1

Molecular Formula

C9H12IN3O3

Molecular Weight

337.12 g/mol

AD

Basic Physical Properties

C1CC(OC1CO)N2C=C(C(=NC2=O)N)I

InChI

InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1

InChIKey

AMWJPSDPTPKJGN-CAHLUQPWSA-N

LogP

0.09999999999999992

Topological Polar Surface Area

90.37 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

369

Synonyms & References

English

  • 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
  • HY-W048478
  • 5-Iodo-2',3'-dideoxycytidine
  • 2',3'-dideoxy-5-iodocytidine
  • CS-0100718
  • CHEMBL388683
  • 114748-57-1
  • SCHEMBL3437075
  • A901370
  • Cytidine, 2',3'-dideoxy-5-iodo-
  • 5-iodo-2', 3'-dideoxycytidine
  • 4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
  • AKOS027325610
  • F86904
  • AMWJPSDPTPKJGN-CAHLUQPWSA-N
  • AC-32188
  • Cytidine,2',3'-dideoxy-5-iodo-
  • 5-I-ddC
  • 2',3'-Dideoxy-5-iodocytidine
  • 5'-Iodo-2',3'-dideoxycytidine
  • 5-Iodo-2',3'-Dideoxy-D-Cytidine

MDL Number

MFCD23160768

FAQ

What regulatory guidelines apply to 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone (CAS: 114748-57-1)?

4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in the EU, and the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) regulations in the U.S. Specifically, it is classified as a potential skin irritant and requires appropriate labeling and storage under environmental protection guidelines.

Are there alternatives to 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone in synthesis?

Several alternatives exist for synthesizing related compounds, such as 4-amino-5-iodo-2(1H)-pyrimidinone using different functional groups like thioether or sulfoxide. Additionally, isomers such as 4-amino-1-[(2S,5R)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone can be considered. These alternatives may offer similar properties but with varying reaction conditions and selectivities.

What is the market or research trend for 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone (CAS: 114748-57-1)?

The market for 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone is currently limited but shows potential in pharmaceutical research, specifically in drug discovery for anti-cancer and anti-inflammatory applications. Research trends indicate growing interest in its synthesis and applications, driven by advancements in medicinal chemistry and bioavailability studies.

How should waste containing 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone (CAS: 114748-57-1) be handled?

Waste containing 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2(1H)-pyrimidinone should be collected in appropriate containers and stored under secure conditions to prevent environmental contamination. Disposal should follow local regulations, with incineration or professional chemical waste disposal services recommended. Environmental protection precautions include wearing protective gear and ensuring proper ventilation during handling and disposal processes.

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