Cas no 1217633-79-8 (N-Desmethyl Topotecan-d3 (>90%))

N-Desmethyl Topotecan-d3 (>90%) is a deuterated analog of N-desmethyl topotecan, a key metabolite of the topoisomerase I inhibitor topotecan. This stable isotope-labeled compound is characterized by high chemical purity (>90%), ensuring reliability for use as an internal standard in quantitative LC-MS/MS analyses. The incorporation of three deuterium atoms enhances mass spectral differentiation, improving sensitivity and accuracy in pharmacokinetic and metabolic studies. Its structural integrity and isotopic purity make it particularly valuable for research involving drug metabolism, bioequivalence studies, and therapeutic monitoring. The compound is supplied under controlled conditions to maintain stability and performance in analytical applications.
N-Desmethyl Topotecan-d3 (>90%) structure
1217633-79-8 structure
Product Name:N-Desmethyl Topotecan-d3 (>90%)
CAS No:1217633-79-8
MF:C22H21N3O5
MW:410.437730550766
CID:1065130
PubChem ID:46781194
Update Time:2025-11-06

N-Desmethyl Topotecan-d3 (>90%) Chemical and Physical Properties

Names and Identifiers

    • N-Desmethyl Topotecan-d3
    • (4S)-4-Ethyl-4,9-dihydroxy-10-[(methylamino-d3)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • DTXSID40675817
    • HY-132685S
    • CS-0202337
    • 1217633-79-8
    • (4S)-4-Ethyl-4,9-dihydroxy-10-[(methylamino-d3)methyl]-1H-pyrano[3',4'
    • (4S)-4-Ethyl-4,9-dihydroxy-10-{[(~2~H_3_)methylamino]methyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • (19S)-19-ethyl-7,19-dihydroxy-8-[(trideuteriomethylamino)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
    • N-Desmethyl Topotecan-d3 (>90%)
    • Inchi： 1S/C22H21N3O5/c1-3-22(29)15-7-17-19-11(9-25(17)20(27)14(15)10-30-21(22)28)6-12-13(8-23-2)18(26)5-4-16(12)24-19/h4-7,23,26,29H,3,8-10H2,1-2H3/t22-/m0/s1/i2D3
    • InChI Key： ZWUJOGCYOWLZFL-WOWPMFNVSA-N
    • SMILES： O1C([C@](CC)(C2C=C3C4C(=CC5C(=C(C=CC=5N=4)O)CNC([2H])([2H])[2H])CN3C(C=2C1)=O)O)=O

Computed Properties

  • Exact Mass: 410.16700
  • Monoisotopic Mass: 410.16695102g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 839
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • PSA: 113.68000
  • LogP: 1.89550

N-Desmethyl Topotecan-d3 (>90%) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D294402-1mg
N-Desmethyl Topotecan-d3 (>90%)
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N-Desmethyl Topotecan-d3 (>90%) Related Literature

Additional information on N-Desmethyl Topotecan-d3 (>90%)

Research Brief on N-Desmethyl Topotecan-d3 (>90%) and Its Relevance to CAS 1217633-79-8

N-Desmethyl Topotecan-d3 (>90%) is a deuterated derivative of N-Desmethyl Topotecan, a key metabolite of the topoisomerase I inhibitor Topotecan. This compound, with CAS number 1217633-79-8, has garnered significant attention in recent pharmacological and analytical research due to its utility as an internal standard in mass spectrometry-based assays. The deuterium labeling enhances its stability and detection sensitivity, making it invaluable for pharmacokinetic and metabolic studies of Topotecan and related analogs.

Recent studies have focused on optimizing the synthesis and purification of N-Desmethyl Topotecan-d3 to achieve high isotopic purity (>90%), which is critical for minimizing interference in quantitative analyses. Advances in chromatographic techniques, such as high-performance liquid chromatography (HPLC) coupled with tandem mass spectrometry (LC-MS/MS), have enabled precise quantification of this compound in biological matrices. These methodological improvements are pivotal for understanding the metabolic pathways and clearance mechanisms of Topotecan in clinical settings.

One notable application of N-Desmethyl Topotecan-d3 is in the investigation of drug-drug interactions (DDIs) involving Topotecan. Researchers have employed this deuterated standard to elucidate the role of cytochrome P450 enzymes and transporters in Topotecan metabolism. For instance, a 2023 study published in the Journal of Pharmaceutical and Biomedical Analysis demonstrated that N-Desmethyl Topotecan-d3 facilitated the accurate measurement of Topotecan and its metabolites in plasma samples, revealing potential DDIs with co-administered drugs like ketoconazole.

Furthermore, the stability and pharmacokinetic properties of N-Desmethyl Topotecan-d3 have been explored in preclinical models. A recent in vivo study highlighted its utility in tracing the distribution and elimination of Topotecan metabolites, providing insights into interspecies variability. These findings are instrumental in translational research, bridging gaps between animal models and human clinical trials.

In conclusion, N-Desmethyl Topotecan-d3 (>90%) represents a critical tool in modern pharmacologic research, particularly for studies involving CAS 1217633-79-8. Its high isotopic purity and compatibility with advanced analytical techniques underscore its importance in drug development and therapeutic monitoring. Future research directions may include expanding its applications to personalized medicine and exploring novel synthetic routes to enhance yield and purity.

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