3413-72-7

• 常用中文名：MTIC
• 常用英文名：MTIC
• CAS号：3413-72-7
• 分子式：C₅H₈N₆O
• 分子量：168.15700
• 相关类别： 研究领域 癌症
• 发布时间：2017-09-26 08:12:05
• 更新时间：2026-07-03 13:26:59
• MTIC是替莫唑胺(TMZ)的活性代谢产物。与TMZ相比,MITC在大脑中的生物利用度较低,因为药物通过生物屏障和肿瘤细胞膜的渗透性会影响生物利用度。MITC对生物膜的亲和力较低[1]。

名称

• 中文名: 3-甲基(三氮杂烯基)咪唑-4 甲酰胺
• 英文名: mtic
• 中文别名: 4-(3-甲基三氮-1-烯-1-基)-1H-咪唑-5-甲酰胺; 5-(3-甲基-1-三嗪基)咪唑-4-甲酰胺; 3-甲基(三氮杂烯基)咪唑-4 甲酰胺/替莫唑胺代谢物- MTIC; 单甲基三氮杂咪唑羧酰胺
• 英文别名: 5-(3-Methyl-1-triazenyl)-1H-imidazole-4-cboxamide; 5-Monomethyltriazenoimidazole-4-carboxamide; nsc407347; 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide; 5-(3-methyl-1-triazeno)-imidazole-4-cboxamid; 5-(3-Methyltriaz-1-en-1-yl)-1H-imidazole-4-cboxamide; 1H-Imidazole-4-cboxamide, 5-[2-(methylimino)hydrazinyl]; Monomethyl triaizeno imidazole cboxamide; 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide; 5-(3-methyl-1-triazenyl)-1h-imidazole-4-cboxamid; 5-(3-methyl-1-triazeno)imidazole-4-cboxamide; 3-Methyl(triazenyl)iMidazole-4-cboxaMide; 1H-Imidazole-4-carboxamide,5-(3-methyl-1-triazenyl); MonomethylTriaizenoImidazoleCboxamide,3-Methyl-(triazen-yl)-imidazole-4-cboxamide,NSC407347; 3-Methyl(triazenyl)imidazole-4-cboxamide(MTIC); MONOMETHYL-TRIAZENOIMIDAZOLE-CBOXAMIDE; 5-(3-Monomethyl-1-triazeno)imidazole-4-carboxamide; 1H-IMidazole-4-cboxaMide,5-[2-(MethyliMino)hydrazinyl]- (Related Reference) 1H-IMidazole-4-cboxaMide,5-[2-(MethyliMino)hydrazinyl]- (Related Reference); (5E)-5-(methylaminohydrazinylidene)imidazole-4-carboxamide; Thiocoraline Impurity10; Imidazole-4-carboxamide,5-(3-methyl-1-triazeno); 5-(3-Methyltriazene-1-yl)-1H-imidazole-4-cboxamide; Monomethyl Triaizeno Imidazole Cboxamide, 3-Methyl(triazenyl)imidazole-4-cboxamide, 5-(3-Methyltriazen-1-yl)imidazole-4-cboxamide, NSC; 4-(3-methyltriaz-1-en-1-yl)-1H-imidazole-5-cboxamide; 5(or4)-(3-methyl-1-triazeno)-imidazole-4(or5)-cboxamid

物化性质

• 密度: 1.66g/cm3
• 沸点: 306.7ºC at 760mmHg
• 分子式: C₅H₈N₆O
• 分子量: 168.15700
• 闪点: 139.3ºC
• 精确质量: 168.07600
• PSA: 108.52000
• LogP: 0.81790
• 折射率: 1.741
• 储存条件: -20°C

生物活性

• 描述: MTIC是替莫唑胺(TMZ)的活性代谢产物。与TMZ相比,MITC在大脑中的生物利用度较低,因为药物通过生物屏障和肿瘤细胞膜的渗透性会影响生物利用度。MITC对生物膜的亲和力较低[1]。
• 相关类别:
  研究领域 >> 癌症
  研究领域 >> 神经疾病
• 参考文献:

  [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.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NI4000000 CHEMICAL NAME : Imidazole-4-carboxamide, 5-(3-methyl-1-triazeno)- CAS REGISTRY NUMBER : 3413-72-7 LAST UPDATED : 199712 DATA ITEMS CITED : 14 MOLECULAR FORMULA : C5-H8-N6-O MOLECULAR WEIGHT : 168.19 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 : 775 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4450 mg/kg/14W-C 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 : 10 mg/kg 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 : 1 mmol/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 36,2827,1976

安全

• 海关编码: 2934999090

合成路线

593-51-1 7008-85-7 ~% 3413-72-7

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 665 - 670

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海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%