Cas no 1312424-26-2 (Rilpivirine-d6)

Rilpivirine-d6 is a deuterated analog of Rilpivirine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in HIV treatment. The incorporation of six deuterium atoms enhances its utility as an internal standard in mass spectrometry-based assays, ensuring improved accuracy and precision in pharmacokinetic and metabolic studies. Its structural similarity to Rilpivirine allows for reliable quantification while minimizing isotopic interference. Rilpivirine-d6 is particularly valuable in LC-MS/MS applications, offering consistent retention times and fragmentation patterns. The compound's high chemical purity and stability further support its role in analytical research, making it an essential tool for drug development and therapeutic monitoring.
Rilpivirine-d6 structure
Rilpivirine-d6 structure
Product Name:Rilpivirine-d6
CAS No:1312424-26-2
MF:C22H18N6
MW:372.455493450165
CID:1062250
PubChem ID:53240413
Update Time:2025-10-29

Rilpivirine-d6 Chemical and Physical Properties

Names and Identifiers

    • Rilpivirine-d6
    • 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-bis(trideuteriomethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
    • 1312424-26-2
    • 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-bis[(~2~H_3_)methyl]anilino}pyrimidin-2-yl)amino]benzonitrile
    • CS-0202016
    • G14065
    • DTXSID10692874
    • HY-10574S
    • Inchi: 1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+/i1D3,2D3
    • InChI Key: YIBOMRUWOWDFLG-XDMLVRQJSA-N
    • SMILES: N(C1C=CN=C(NC2C=CC(C#N)=CC=2)N=1)C1C(C([2H])([2H])[2H])=CC(/C=C/C#N)=CC=1C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 372.19700
  • Monoisotopic Mass: 372.19695508g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 607
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 97.4?2

Experimental Properties

  • PSA: 100.65000
  • LogP: 4.48396

Rilpivirine-d6 Pricemore >>

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Rilpivirine-d6 Production Method

Additional information on Rilpivirine-d6

Rilpivirine-d6: A Comprehensive Overview

Rilpivirine-d6, also known as Rilpivirine-d6 or d6-Rilpivirine, is a deuterated analog of rilpivirine, a well-known non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of HIV-1 infection. The compound, identified by the CAS number 1312424-26-2, has gained significant attention in recent years due to its potential applications in drug development and pharmacokinetic studies. This article provides an in-depth analysis of Rilpivirine-d6, including its structure, synthesis, pharmacological properties, and the latest research findings.

Rilpivirine-d6 is structurally similar to rilpivirine but incorporates six deuterium atoms, which are heavier isotopes of hydrogen. This modification enhances the compound's stability and alters its pharmacokinetic profile, making it an invaluable tool for studying drug metabolism and bioavailability. Recent studies have demonstrated that Rilpivirine-d6 exhibits comparable antiviral activity to rilpivirine while showing improved resistance to metabolic degradation. This makes it a promising candidate for the development of next-generation antiretroviral therapies.

The synthesis of Rilpivirine-d6 involves advanced chemical techniques, including deuterium exchange reactions and precise control over stereochemistry. Researchers have employed various methods, such as catalytic hydrogenation with deuterated solvents and enzymatic modifications, to achieve high yields of the compound. These advancements have significantly reduced the cost of production and increased accessibility for academic and industrial research.

Pharmacologically, Rilpivirine-d6 has shown remarkable efficacy in inhibiting HIV-1 replication in vitro. Studies conducted by leading institutions have revealed that the compound binds strongly to the reverse transcriptase enzyme, effectively blocking viral RNA synthesis. Furthermore, preclinical trials have indicated that Rilpivirine-d6 demonstrates reduced toxicity compared to its non-deuterated counterpart, suggesting potential benefits for long-term therapy.

One of the most exciting developments involving Rilpivirine-d6 is its application in drug resistance studies. By incorporating deuterium into the molecule, researchers can track the compound's metabolic pathways more accurately, providing critical insights into how resistance mechanisms develop. This knowledge is invaluable for designing drugs with enhanced resistance profiles.

Recent clinical trials have also explored the use of Rilpivirine-d6 in combination therapies for HIV treatment. Early results indicate that the compound works synergistically with other antiretroviral agents, leading to improved viral suppression and reduced side effects. These findings underscore the potential of Rilpivirine-d6 as a key component in future HIV treatment regimens.

In terms of regulatory status, Rilpivirine-d6 is currently under investigation for approval as a research tool and potential therapeutic agent. Regulatory agencies have expressed interest in its unique properties and are closely monitoring ongoing clinical studies.

From a commercial perspective, demand for Rilpivirine-d6 has grown significantly due to its versatility in research applications. Pharmaceutical companies and academic institutions are increasingly adopting this compound for drug discovery programs targeting viral infections.

In conclusion, Rilpivirine-d6 represents a groundbreaking advancement in antiretroviral therapy. With its enhanced stability, reduced toxicity, and innovative applications in drug development, this compound holds immense promise for improving HIV treatment outcomes worldwide.

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