CAS 5034-77-5

5-[3,3-Bis(2-chloroethyl)-1-triazenyl]-1H-imidazole-4-carboxamide

Description:

5-[3,3-Bis(2-chloroethyl)-1-triazenyl]-1H-imidazole-4-carboxamide, with CAS number 5034-77-5, is a chemical compound that belongs to the class of triazene derivatives. It is characterized by the presence of a triazene functional group, which is known for its potential as an antitumor agent due to its ability to release reactive species that can damage DNA. The imidazole ring contributes to its biological activity, as imidazole derivatives often exhibit various pharmacological properties. This compound is typically synthesized through a multi-step process involving the reaction of appropriate precursors. Its structure includes two chloroethyl groups, which enhance its reactivity and potential for alkylation of nucleophilic sites in biological molecules. The compound's properties, such as solubility, stability, and reactivity, can vary based on environmental conditions and the presence of other chemical species. Due to its biological activity, it has been studied for its potential use in cancer therapy, although safety and efficacy must be thoroughly evaluated in clinical settings.

Formula: C₈H₁₂Cl₂N₆O

InChI: InChI=1S/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5H,1-4H2,(H2,11,17)(H,12,13)

InChI key: InChIKey=XWRSGLHADOYUFN-UHFFFAOYSA-N

SMILES: N(=NN(CCCl)CCCl)C1=C(C(N)=O)N=CN1

Synonyms:

• 5-[3,3-Bis(2-chloroethyl)-1-triazenyl]-1H-imidazole-4-carboxamide
• Imidazole-4(or 5)-carboxamide, 5(or 4)-[3,3-bis(2-chloroethyl)-1-triazeno]-
• NSC 82196
• 1H-Imidazole-4-carboxamide, 5-[3,3-bis(2-chloroethyl)-1-triazenyl]-
• Imidazole-4-carboxamide, 5-[3,3-bis(2-chloroethyl)-1-triazeno]-

Imidazole mustard

CAS: 5034-77-5

Imidazole mustard is an inhibitor of purine nucleoside synthesis.

Formula: C₈H₁₂Cl₂N₆O

Color and Shape: Solid

Molecular weight: 279.13

Ref: TM-T69179