2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one | CAS No. 1367369-76-3

2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one

Basic Information

CAS Number

1367369-76-3

Molecular Formula

C12H15N5O3

Molecular Weight

277.28 g/mol

AD

Basic Physical Properties

C=C1[C@@H](C[C@H]([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N

InChI

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8+/m0/s1

InChIKey

QDGZDCVAUDNJFG-XLPZGREQSA-N

LogP

-0.8278000000000001

Topological Polar Surface Area

130.05 Ų

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

480

Synonyms & References

English

  • (1R,3R,4R)-Entecavir
  • 1R3R4R-entecavir (impurity)
  • 2-amino-9-((1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3,9-dihydro-6H-purin-6-one
  • 2-Amino-9-((1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one

MDL Number

MFCD24386677

FAQ

What regulatory guidelines apply to 2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 1367369-76-3)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a pharmaceutical intermediate and may be regulated under the Toxic Substances Control Act (TSCA) in the US. Manufacturers and users should adhere to specific handling, storage, and disposal guidelines as outlined by these regulations.

Are there alternatives to 2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 1367369-76-3) in synthesis?

There are several alternatives in synthesis, including using related analogs such as 2-Amino-9-(3,3-dimethylcyclohex-1-en-1-yl)-1,9-dihydro-6H-purin-6-one and other 2-aminopurine derivatives. Common alternative reagents include substituted amines and cyclopentyl derivatives, which can provide similar functional groups but with different structural properties.

What is the market or research trend for 2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 1367369-76-3)?

The market trend for this compound reflects increasing research interest in purine-based compounds for medicinal applications. Recent studies are focusing on its potential as an antiviral agent and as a lead compound in drug discovery. Market trends suggest growing demand for such intermediates, although price fluctuations may vary based on supply and demand dynamics.

How should waste containing 2-Amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 1367369-76-3) be handled?

Waste containing this compound should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. Proper incineration or professional waste disposal services should be utilized for safe disposal. Environmental protection measures include ensuring compliance with local regulations and using protective equipment to minimize exposure. Training for personnel involved in handling and disposal is also crucial.

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