2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato | CAS No. 1367369-79-6

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

Basic Information

CAS Number

1367369-79-6

Molecular Formula

C12H15N5O3

Molecular Weight

277.28 g/mol

AD

Basic Physical Properties

Boiling Point

661.4±65.0 °C(Predicted)

Density

1.81±0.1 g/cm3(Predicted)

C=C1C(CC(C1CO)O)n2cnc3c2[nH]c(nc3=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)

InChIKey

QDGZDCVAUDNJFG-UHFFFAOYSA-N

LogP

-0.8278000000000001

pKa

14.22±0.60(Predicted)

Topological Polar Surface Area

130.05 Ų

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

480

Synonyms & References

English

  • (1S,3S,4R)-Entecavir
  • 2-amino-9-((1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
  • (1R,2S,4R)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)-3-methylenecyclopentan-1-ol
  • 2-amino-9-((1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
  • (1S,3S,4R)-ent-Entecavir
  • Entecavir impurity 6/(1S,3S,4R)-Entecavir/2-Amino-1,9-dihydro-9-[(1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-
  • Entecavir (S,S,R)-Isomer
  • 1S3S4R-entecavir (impurity)
  • 2-amino-9-((1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3,9-dihydro-6H-purin-6-one
  • 2-Amino-9-((1S,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
  • CID 136339987

MDL Number

MFCD31562807

FAQ

What regulatory guidelines apply to 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6)?

The compound 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) falls under the purine derivatives category and is subject to various safety and environmental regulations. It may require registration under the REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) regulations in the EU. In the United States, it may also be regulated by the EPA under OSHA (Occupational Safety and Health Act) and DOT (Department of Transportation) for transportation and storage. It is advisable to consult the Material Safety Data Sheet (MSDS) for specific handling and disposal guidelines.

Are there alternatives to 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) in synthesis?

There are several alternatives to 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) in synthesis, including purine analogs like theophylline, hypoxanthine, and adenine. These compounds can serve as effective substitutes depending on the specific requirements of the reaction. Common alternative reagents include purine nucleosides and their derivatives, which can be used in similar contexts.

What is the market or research trend for 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6)?

The market for 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) is currently limited, but there is a growing interest in its potential applications in pharmaceuticals, particularly for its role in nucleoside-based therapies. Research trends indicate an increasing focus on developing new purine analogs for drug discovery and treatment of conditions such as cancer and viral infections. The trend towards personalized medicine and targeted drug delivery is expected to drive further research interest in this compound.

How should waste containing 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) be handled?

Waste containing 2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-onato (CAS: 1367369-79-6) should be managed according to the waste disposal guidelines specified in the MSDS. It is crucial to ensure that waste is collected in appropriate containers and disposed of through a licensed hazardous waste facility. For liquid waste, it should be collected in sealed containers and treated according to local regulations. Incineration or professional waste disposal services may be necessary to ensure that the waste is handled safely and environmentally responsibly. Proper labeling and documentation are also essential to comply with regulatory requirements.

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