Abacavir sulfate - ≥99% , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.188062-50-2, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

CAS: 188062-50-2 Cat. No.: A129792 Molecular Weight: 335.35 EC Number: 620-488-4 PubChem CID: 441384

GRADE & PURITY ≥99%

Synonyms

Abacavir sulfate | Abacavir sulfate (JAN/USP) | B6091 | Abacavir sulfate racemic [USP-RS] | NSC-760063 | ABACAVIR SULFATE (MART.) | AS-17843 | DRG-0257 | Abacavir sulfate (USAN:USP) | ABACAVIR SULFATE [JAN] | ABACAVIR SULFATE [USP MONOGRAPH] | ABC sulfate

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Abacavir is a commonly used nucleoside analogue with potent antiviral activity against HIV-1.
A nucleoside reverse transcriptase inhibitor.

Specifications

Synonyms

Abacavir sulfate | Abacavir sulfate (JAN/USP) | B6091 | Abacavir sulfate racemic [USP-RS] | NSC-760063 | ABACAVIR SULFATE (MART.) | AS-17843 | DRG-0257 | Abacavir sulfate (USAN:USP) | ABACAVIR SULFATE [JAN] | ABACAVIR SULFATE [USP MONOGRAPH] | ABC sulfate

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Abacavir sulfate is a Nucleoside analog reverse transcriptase inhibitor (NRTI); guanosine analog used to treat HIV and AIDS;Abacavir sulfate is the sulfate form of abacavir, a nucleoside reverse transcriptase inhibitor (NRTI). NRTIs work by blocking HIV r

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488189783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189783
• Canonical Smiles: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.OS(=O)(=O)O
• IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
• InChIKey: WMHSRBZIJNQHKT-FFKFEZPRSA-N
• INCHI: 1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
• Isomeric SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O
• WGK Germany: 3
• PubChem CID: 441384
• Molecular Weight: 335.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Nucleoside and nucleotide analogues
      • Subclass Cyclopentyl nucleosides
        • Level5 1,3-substituted cyclopentyl nucleosides
          • Level6 1,3-substituted cyclopentyl purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Nucleoside and nucleotide analogues
• Subclass: Cyclopentyl nucleosides
• Intermediate Tree Nodes: 1,3-substituted cyclopentyl nucleosides
• Direct Parent: 1,3-substituted cyclopentyl purine nucleosides
• Alternative Parents: 6-alkylaminopurines Secondary alkylarylamines Aminopyrimidines and derivatives Organic sulfuric acids N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 1,3-substituted cyclopentyl purine nucleoside - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Sulfuric acid - Secondary aliphatic/aromatic amine - Imidolactam - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Organic sulfuric acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Alcohol - Amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base.
• External Descriptors: azaheterocycle sulfate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (77 mg/ml), DMSO (< 1 mg/ml at 25 °C), ethanol (< 1 mg/ml at 25 °C), and methanol
• Molecular Weight: 670.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 670.276 Da
• Monoisotopic Mass: 670.276 Da
• Topological Polar Surface Area: 287.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 496.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Nanshan Song, Xiangxu Wang, Luqing Ha, Lamei Hu, Shuyuan Mei, Yue Liang, Yujie Zhao, Xingyin Yang, Qingyu Zhang, Yuanzhang Zhou, Jianhua Ding, Yan Liu, Qigang Zhou, Feng Han, Gang Hu, Ming Lu.  (2025)  Neuronal FGF13 Inhibits Mitochondria-Derived Damage Signals to Prevent Neuroinflammation and Neurodegeneration in a Mouse Model of Parkinson's Disease.  Advanced Science,      [PMID:40344619] [10.1002/advs.202503579]