2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one | CAS No. 1367369-80-9

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

Basic Information

CAS Number

1367369-80-9

Molecular Formula

C12H15N5O3

Molecular Weight

277.28 g/mol

AD

Basic Physical Properties

C=C1C(CC(C1CO)O)N2C=NC3=C2N=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)/t6-,7-,8+/m0/s1

InChIKey

QDGZDCVAUDNJFG-BIIVOSGPSA-N

LogP

-0.8278000000000001

Topological Polar Surface Area

130.04999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

480

Synonyms & References

English

  • 4’-epi-Entecavir
  • 4'-epi-Entecavir
  • (1S,3R,4R)-Entecavir
  • Entecavir EP Impurity D HCl
  • Entecavir 4-epimer [USP]
  • 2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-; 4'-Epi-Entecavir; Entecavir Monohydrate Imp. D (EP)
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-
  • rel-2-Amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3H-purin-6(9H)-one
  • 2-amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one? (Entecavir Impurity
  • 2-amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2- methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-
  • Q3Y15NS7O7
  • Entecavir impurity EP D
  • 935837-39-1
  • Entecavir 4-epimer
  • 2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one
  • 4 inverted exclamation mark -epi-Entecavir
  • 1367369-80-9
  • 2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
  • ENTECAVIR MONOHYDRATE IMPURITY D [EP IMPURITY]
  • 9-((1S,3R,4R)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine
  • SCHEMBL17109567
  • 2-Amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
  • UNII-Q3Y15NS7O7
  • 2-Amino-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
  • ENTECAVIR 4-EPIMER [USP IMPURITY]
  • (1'S,3'S,4'S)-Entecavir IsoMer
  • CS-0166080
  • 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one
  • 2-Amino-1,9-dihydro-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one

MDL Number

MFCD21363583

FAQ

What regulatory guidelines apply to 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9)?

This compound (CAS: 1367369-80-9) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for Classification and Labelling of Chemicals. For European Union (EU) manufacturers and importers, REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) regulations apply. In the United States, the compound must meet FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) requirements for chemical safety and environmental protection.

Are there alternatives to 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9) in synthesis?

Yes, there are alternatives to this compound in synthesis. Common analogs include 2-Aminopurine and its derivatives. Alternative reagents such as 2-Amino-6-chloropurine or other purine analogs can be used as substitutes. These alternatives can provide similar functional groups for synthetic chemistry, offering researchers and manufacturers flexibility in their chemical processes.

What is the market or research trend for 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9)?

The market for 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9) is growing due to its applications in medicinal chemistry and drug discovery. Research trends are focusing on its potential as a targeted therapy for diseases such as cancer. The compound's unique structure makes it a valuable tool in developing new pharmaceuticals.

How should waste containing 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9) be handled?

Waste containing 2-Amino-1,9-dihydro-9-((1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-6H-purin-6-one (CAS: 1367369-80-9) should be collected and disposed of according to the local hazardous waste regulations. Incineration is a common method, but professional waste disposal services are recommended for large quantities. Environmental precautions include proper containment to prevent spills and ensure worker safety during handling and disposal.

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