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CS-W001157 4
Total: USD 88.00

Temozolomide acid

  • CAS No. 113942-30-6

  • Cat. No. CS-W019112
  • Purity≥98%
  • MDL No.MFCD12032160

*For research and further manufacturing use only, not for direct human use.

Temozolomide acid|CS-W019112

Structure of 113942-30-6

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General Information

  • CAS No. 113942-30-6
  • Cat. No. CS-W019112
  • Purity ≥98%
  • MDL No. MFCD12032160
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₅O₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES CN1N=NC2=C(N=CN2C1=O)C(O)=O

Description

Temozolomide acid exhibits enhanced solubility and stability under physiological conditions compared to its parent compound. This derivative integrates readily into synthetic workflows requiring a reactive carboxylic acid handle, enabling direct conjugation or derivatization in medicinal chemistry campaigns targeting DNA alkylating agents.

Application

Temozolomide acid serves as a key synthetic intermediate in the preparation of temozolomide, a clinically used alkylating agent for glioblastoma and other malignancies. It functions as a stable precursor to the active imidazotetrazine moiety, enabling controlled delivery of methylating species under physiological conditions. The compound exhibits good bench stability and facilitates straightforward derivatization via amide coupling or esterification, supporting scalable synthesis and purification workflows essential for pharmaceutical development.

Synthesis

  • Route1

    References

    • Wang, Yongfeng; Lambert, Peter; Zhao, Linxiang; Wang, Danni European Journal of Medicinal Chemistry, 2002 , vol. 37, # 4 p. 323 - 332

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   102.38
  • LogP   -1.4788
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   1

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