Abacavir carboxylate

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MedKoo CAT#: 574219

CAS#: 384380-52-3 (caeboxylate)

Description: Abacavir carboxylate is an inactive metabolite of the HIV-1 reverse transcriptase inhibitor abacavir. It is formed from abacavir via reactive aldehyde intermediates that can form adducts with proteins on valine residues.

Chemical Structure

Abacavir carboxylate
CAS# 384380-52-3 (caeboxylate)

Theoretical Analysis

MedKoo Cat#: 574219
Name: Abacavir carboxylate
CAS#: 384380-52-3 (caeboxylate)
Chemical Formula: C14H16N6O2
Exact Mass: 300.1335
Molecular Weight: 300.32
Elemental Analysis: C, 55.99; H, 5.37; N, 27.98; O, 10.65

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1.0mg USD 480.0 2 Weeks
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Related CAS #: 136470-78-5 (free base)   136777-48-5 (HCl)   168146-84-7 (succinate)   188062-50-2 (sulfate)   1446418-48-9 (hydroxyacetate)   384380-52-3 (caeboxylate)    

Synonym: Abacavir carboxylate

IUPAC/Chemical Name: (1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-carboxylic acid


InChi Code: InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19)/t7-,9+/m1/s1

SMILES Code: NC1=NC(N([C@H]2C=C[C@@H](C(O)=O)C2)C=N3)=C3C(NC4CC4)=N1

Appearance: Solid powder

Purity: >95% (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: >3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 300.32 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

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1. Martin, M.A., and Kroetz, D.L. Abacavir pharmacogenetics--from initial reports to standard of care. Pharmacotherapy 33(7), 765-775 (2013).

2. Charneira, C., Godinho, A.L.A., Oliveira, M.C., et al. Reactive aldehyde metabolites from the anti-HIV drug abacavir: amino acid adducts as possible factors in abacavir toxicity. Chem. Res. Toxicol. 24(12), 2129-21241 (2011).