MedKoo Cat#: 574219 | Name: Abacavir carboxylate
Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Theoretical Analysis

MedKoo Cat#: 574219

Name: Abacavir carboxylate

CAS#: 384380-52-3 (carboxylate)

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

Price and Availability

Size Price Availability Quantity
1mg USD 650.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Synonym
Abacavir carboxylate, Abacavir, Abacavir hydroxyacetate
IUPAC/Chemical Name
(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-carboxylic acid
InChi Key
OCSMNHMMTKMVCP-APPZFPTMSA-N
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
More Info

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
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).