ent-Entecavir
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MedKoo CAT#: 555901

CAS#: 188399-46-4 (enantiomer)

Description: ent-Entecavir is an enantiomeric impurity of the antiviral drug Entecavir. Entecavir is an oral antiviral drug used in the treatment of hepatitis B virus (HBV) infection. Entecavir is a reverse transcriptase inhibitor. It prevents the hepatitis B virus from multiplying and reduces the amount of virus in the body. More specifically, it is a deoxyguanosine analogue belonging to a class of carbocyclic nucleosides, that inhibits reverse transcription, DNA replication and transcription in the viral replication process.

Chemical Structure

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ent-Entecavir
CAS# 188399-46-4 (enantiomer)
Instruction

Theoretical Analysis

MedKoo Cat#: 555901
Name: ent-Entecavir
CAS#: 188399-46-4 (enantiomer)
Chemical Formula: C12H15N5O3
Exact Mass: 277.12
Molecular Weight: 277.284
Elemental Analysis: C, 51.98; H, 5.45; N, 25.26; O, 17.31

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1mg USD 550 2 Weeks
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Related CAS #: 142217-69-4 (free)   209216-23-9 (hydrate)   911138-73-3 (maleate)   188399-46-4 (enantiomer)    

Synonym: ent-Entecavir, ent-BMS 200475; ent-BMS-200475; ent-BMS200475; ent-Baraclude; ent-SQ 34676; ent-SQ-34676; ent-SQ34676; FT-0083013; FT0083013; FT0083013; D07896;

IUPAC/Chemical Name: 2-Amino-1,9-dihydro-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-Purin-6-one

InChi Key: QDGZDCVAUDNJFG-BWZBUEFSSA-N

InChi Code: 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-/m1/s1

SMILES Code: O=C1NC(N)=NC2=C1N=CN2[C@H]3C([C@@H](CO)[C@H](O)C3)=C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 277.28 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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