Cas no 173547-45-0 (Cyclophosphamide-d4)

Cyclophosphamide-d4 is a deuterated analog of cyclophosphamide, where four hydrogen atoms are replaced with deuterium. This stable isotopically labeled compound is primarily used as an internal standard in quantitative mass spectrometry, ensuring high accuracy and precision in pharmacokinetic and metabolic studies. Its structural similarity to cyclophosphamide allows for reliable tracking and analysis of the parent drug and its metabolites in biological matrices. The incorporation of deuterium minimizes interference from endogenous compounds, enhancing analytical specificity. Cyclophosphamide-d4 is particularly valuable in clinical research, toxicology, and drug development, where precise quantification of cyclophosphamide is critical for dose-response assessments and therapeutic monitoring.
Cyclophosphamide-d4 structure
Cyclophosphamide-d4 structure
Product Name:Cyclophosphamide-d4
CAS No:173547-45-0
MF:C7H15Cl2N2O2P
MW:265.11
CID:111616
PubChem ID:3035226
Update Time:2025-05-24

Cyclophosphamide-d4 Chemical and Physical Properties

Names and Identifiers

    • 2H-1,3,2-Oxazaphosphorin-4,5-d2-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4,5-d2-, 2-oxide (9CI)
    • Cyclophosphamide-d4
    • N,N-bis(2-chloroethyl)-4,4,5,5-tetradeuterio-2-oxo-1,3,2λ<sup>5</sup>-oxazaphosphinan-2-amine
    • Cycloblastin-d4
    • Cyclostin-d4
    • Cytoxan-d4
    • Endoxan-d4
    • Genoxal-d4
    • Hexadrin-d4
    • Mitoxan-d4
    • NSC 26271-d
    • NSC 26271-d4
    • 173547-45-0
    • E5-oxazaphosphinan-2-amine
    • Cycloblastin-d4;Cyclostin-d4
    • J-010918
    • N,N-bis(2-chloroethyl)-4,4,6,6-tetradeuterio-2-oxo-1,3,2
    • 2-[BIS(2-CHLOROETHYL)AMINO](4,4,6,6-(2)H?)-1,3,2??-OXAZAPHOSPHINAN-2-ONE
    • N,N-Bis(2-chloroethyl)tetrahydro-4,6-d2-2H-1,3,2-oxazaphosphorin-4,6-d2-2-amine 2-oxide
    • AKOS030254464
    • 2H-1,3,2-Oxazaphosphorin-4,6-d2-2-amine, N,N-bis(2-chloroethyl)tetrahydro-4,6-d2-, 2-oxide
    • ,N-Bis(2-chloroethyl)tetrahydro-4,5-d2-2H-1,3,2-oxazaphosphorin-2-amine 2-Oxide
    • N,N-bis(2-chloroethyl)-4,4,6,6-tetradeuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
    • 4,4-6,6-D4-Cyclophosphamide
    • DTXSID70975130
    • 2-[Bis(2-chloroethyl)amino](4,4,6,6-~2~H_4_)-1,3,2lambda~5~-oxazaphosphinan-2-one
    • 2H-1,3,2-Oxazaphosphorin-4,5-d2-2-amine, N,N-bis(2-chloroethyl)tetrahydro-4,5-d2-, 2-oxide (9CI)
    • 59720-10-4
    • SCHEMBL13750608
    • Inchi: InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/i4D2,7D2
    • InChI Key: CMSMOCZEIVJLDB-CTVJKLEYSA-N
    • SMILES: ClCCN(CCCl)P1(NC([2H])([2H])CC([2H])([2H])O1)=O

Computed Properties

  • Exact Mass: 264.05000
  • Monoisotopic Mass: 264.0499271g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.355
  • Melting Point: 41-450C
  • Boiling Point: 336.099°C at 760 mmHg
  • Flash Point: 157.068°C
  • Refractive Index: 1.506
  • PSA: 51.38000
  • LogP: 2.21280

Cyclophosphamide-d4 Security Information

  • Storage Condition:-20°C Freezer

Cyclophosphamide-d4 Pricemore >>

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Cyclophosphamide-d4 Related Literature

Additional information on Cyclophosphamide-d4

Cyclophosphamide-d4 (CAS No. 173547-45-0): A Comprehensive Overview

Cyclophosphamide-d4 (CAS No. 173547-45-0) is a deuterated analog of cyclophosphamide, a well-known chemotherapeutic agent widely used in the treatment of various cancers and autoimmune diseases. The incorporation of deuterium into the molecular structure of cyclophosphamide results in Cyclophosphamide-d4, which exhibits unique properties that make it valuable for research and potential therapeutic applications. This compound has gained significant attention in recent years due to its role in advancing our understanding of drug metabolism, pharmacokinetics, and disease mechanisms.

The synthesis of Cyclophosphamide-d4 involves the substitution of specific hydrogens in the cyclophosphamide molecule with deuterium atoms, a process that can be achieved through various chemical methods. The resulting compound retains the core pharmacological activity of cyclophosphamide while introducing subtle differences in its chemical behavior. These differences are particularly useful in studies requiring precise tracking of drug distribution and metabolism within biological systems.

One of the most notable applications of Cyclophosphamide-d4 is in cancer research. By using this deuterated analog, researchers can investigate the mechanisms of action of cyclophosphamide at a molecular level with greater precision. For instance, studies have shown that Cyclophosphamide-d4 can help elucidate the role of specific metabolic pathways in drug resistance, providing valuable insights for the development of more effective cancer therapies.

In addition to its role in cancer research, Cyclophosphamide-d4 has also been utilized in immunological studies. Cyclophosphamide is known for its immunosuppressive properties, and the deuterated version allows researchers to study these effects with enhanced accuracy. Recent findings have highlighted the potential of Cyclophosphamide-d4 in understanding autoimmune diseases such as lupus and rheumatoid arthritis, where modulation of the immune system is critical for effective treatment.

The use of Cyclophosphamide-d4 in preclinical studies has also contributed to advancements in pharmacokinetics and toxicology. By tracking the deuterated compound within experimental models, scientists can gain a deeper understanding of how cyclophosphamide is absorbed, distributed, metabolized, and excreted by the body. This information is invaluable for optimizing dosing regimens and minimizing adverse effects in clinical settings.

Recent breakthroughs in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy have further enhanced the utility of Cyclophosphamide-d4 in research. These techniques allow for precise quantification and characterization of the compound within complex biological matrices, enabling researchers to study its interactions with cellular components and enzymes at unprecedented resolution.

Moreover, Cyclophosphamide-d4 has been instrumental in advancing our understanding of drug delivery systems. By incorporating this compound into nanoparticles or other delivery vehicles, researchers have been able to improve the targeting efficiency and bioavailability of anticancer agents. Such innovations hold promise for reducing systemic toxicity while enhancing therapeutic efficacy.

In conclusion, Cyclophosphamide-d4 (CAS No. 173547-45-0) represents a powerful tool for advancing biomedical research across multiple disciplines. Its unique properties make it an invaluable asset for studying drug metabolism, immune modulation, and cancer biology. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in both basic science and clinical practice.

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