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

Basic Information

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CAS Number

142217-69-4

Molecular Formula

C12H15N5O3

Molecular Weight

277.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>220°C

Boiling Point

734.2°C at 760 mmHg

Specific Rotation

+29.0° - +36.0 (c=0.5, H2O)

SMILES

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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-FXQIFTODSA-N

LogP

-0.8278000000000001

Topological Polar Surface Area

130.05 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

480

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Entecavir
Entecavi
entecavir Baraclude
2-Amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylidene-cyclopentyl]-3H-purin-6-one,
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one
Entecavir-d2
Baraclude
BMS200475
SQ34676
UNII-NNU2O4609D
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
BMS 200475
entecavir (anhydrous)
NNU2O4609D
SQ 34676
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one
anhydrous entecavir
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecycl
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one
2-Amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one

MDL Number

MFCD24624045

Customs Code

2933990090

FAQ

What is 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4)?

2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) is a complex organic compound belonging to the purine class. It has a molecular formula of C16H21N5O4 and is characterized by its structural features, including a cyclopentyl ring with hydroxyl and hydroxymethyl groups, and a purine nucleus. This compound is often used in specialized chemical research due to its unique functional groups and potential biological activity.

What are the main uses of 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4)?

The primary use of 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) is in pharmaceutical research, where it serves as a precursor or intermediate in the synthesis of various bioactive compounds. It may also find applications in organic chemistry and drug development due to its structural versatility and potential for modification into active pharmaceutical ingredients.

Is 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) safe?

The safety of 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) depends on its handling and application. As a chemical intermediate, it may have potential toxicity, so proper protective measures such as gloves, goggles, and ventilation should be used. Safety data is limited, and it is recommended to follow standard chemical safety protocols when working with this compound.

How should 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) be stored?

2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 142217-69-4) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is best kept in a sealed container to prevent moisture absorption and contamination. Avoid exposure to air and light to maintain its stability and prevent degradation.