CAS Number3413-72-7
Synonyms5-Monomethyltriazenoimidazole-4-carboxamide; 5-(3-Monomethyl-1-triazeno)imidazole-4-carboxamide; (5E)-5-(methylaminohydrazinylidene)imidazole-4-carboxamide; 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide; 1H-Imidazole-4-carboxamide,5-(3-methyl-1-triazenyl); 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide; Imidazole-4-carboxamide,5-(3-methyl-1-triazeno)
Molecular FormulaC5H8N6O
Molecular Weight168.15700
Density1.66g/cm3
Boiling Point306.7ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3413-72-7 |
| Catalog No. | 2A-3179119 |
| Chinese Name | MTIC |
| Synonyms | 5-Monomethyltriazenoimidazole-4-carboxamide; 5-(3-Monomethyl-1-triazeno)imidazole-4-carboxamide; (5E)-5-(methylaminohydrazinylidene)imidazole-4-carboxamide; 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide; 1H-Imidazole-4-carboxamide,5-(3-methyl-1-triazenyl); 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide; Imidazole-4-carboxamide,5-(3-methyl-1-triazeno) |
| Molecular Formula | C5H8N6O |
| Molecular Weight | 168.15700 |
| Density | 1.66g/cm3 |
| Boiling Point | 306.7ºC at 760mmHg |
| Storage Condition | -20°C |
| Application | MTIC is the active metabolite of temozolomide (TMZ). Compared with TMZ, MITC has lower bioavailability in the brain because drug permeability through biological barriers and tumor cell membranes affec |
| HTC | 2934999090 |
| SMILES | CN=NNc1nc[nH]c1C(N)=O |
| InChI | InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2,7,11H,1H3,(H2,6,12)/b10-5+ |
| InChI Key | MVBPAIHFZZKRGD-UHFFFAOYSA-N |
| Use of | MTIC is the active metabolite of Temozolomide (TMZ). MITC has lower bioavailability in the brain compared with TMZ, because the drug's permeability through biological barriers and tumor cell membranes affects bioavailability. MITC exhibits low affinity to biological membrane[1]. Properties Synonym More Synonyms MTIC Biological Activity Description MTIC is the active metabolite of Temozolomide (TMZ). MITC has lower bioavailability in the brain compared with TMZ, because the drug's permeability through biological barriers and tumor cell membranes affects bioavailability. MITC exhibits low affinity to biological membrane[1]. Related Catalog Research Areas >> Cancer Research Areas >> Neurological Disease References [1]. Ramalho MJ, et al. Biophysical interaction of temozolomide and its active metabolite with biomembrane models: The relevance of drug-membrane interaction for Glioblastoma Multiforme therapy. Eur J Pharm Biopharm. 2019;136:156-163. Chemical & Physical Properties Molecular Formula C5H8N6O Exact Mass 168.07600 PSA 108.52000 LogP 0.81790 Index of Refraction 1.741 InChIKey MVBPAIHFZZKRGD-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Imidazole-4-carboxamide, 5-(3-methyl-1-triazeno)- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C5-H8-N6-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5M CNJ DVZ ENUNM1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Reproductive - Tumorigenic effects - uterine tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Reproductive - Tumorigenic effects - uterine tumors MUTATION DATA TYPE OF TEST : DNA inhibition TEST SYSTEM : Rodent - rat Cells - not otherwise specified DOSE/DURATION : REFERENCE : Safety Information HS Code 2934999090 Synthetic Route Total: 1 Page Methylamine hyd... CAS#:593-51-1 5-Diazoimidazol... CAS#:7008-85-7 CAS#:3413-72-7 Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 665 - 670 Precursor & DownStream Precursor 2 CAS#:593-51-1 Methylamine hyd... CAS#:7008-85-7 5-Diazoimidazol... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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