CAS: 60-56-0; 1-Methyl-1H-Imidazole-2(3H)-Thione

该化合物是一种硫酰胺类化合物,主要用作抗甲状腺病(包括格雷夫氏病)的抗甲状腺病剂,其机制包括抑制甲状腺过氧化物,从而阻止甲状腺激素(T3和T4)的合成,其主要优势包括它的快速行动,口服生物利用率和可逆酶抑制,允许根据病人的反应进行剂量乳化.由于甲状腺的半衰期较长,允许每天一次或两次剂量,降低肝中毒风险,因此在大多数情况下,甲基甲状腺的偏爱优于丙酰胺(PTU),这也有助于患者为甲状腺切除或放射性碘疗法做好准备.建议对甲状腺功能和潜在不利影响(如甲状腺细胞病)进行监测.

⚠️《化妆品禁用原料目录》
英文名称1-Methyl-1H-Imidazole-2(3H)-Thione
中文名称2-巯基-1-甲基咪唑
IUPAC名称1-methyl-1,3-dihydro-2H-imidazole-2-thione
其它别名2-Mercapto-1-methylimidazole; 1-Methylimidazole-2-thiol; Thiamazole
CAS编号60-56-0
MFCD编号:MFCD00179321
EINECS号:200-482-4
FDA UNII编号:554Z48XN5E
分子式:C4H6N2S
分子量:114.17
产品CID: 1581906
产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

相似结构搜索
产品信息参考;;;;
InChIKey: PMRYVIKBURPHAH-UHFFFAOYSA-N
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

61640-27-5 872-35-5 1160932-07-9

物理性质

熔点144-147°C
沸点154.8 °C at 760 mmHg
闪点123.1±18.7 °C
密度1.3±0.1 g/cm3
pKa:12.37±0.50(预测)
PSA:20.72
LogP:1.08269
折射率1.633
蒸汽压0.0±0.6 mmHg at 25°C
溶解性200G/l
外观形态白色至微奶油色或浅黄褐色结晶粉末
储存条件2-8°C
产品应用甲亢平的中间体.
性质描述叶片状结晶(乙醇),熔点146-148°C,沸点280°C(分解),易溶于水,溶于乙醇;氯仿,微溶于乙醚;苯.

MSDS等安全信息

GHS象形图
GHS符号GHS08 & GHS07;
注释: Health hazard & Exclamation mark
危险类别生殖毒性类别2
急性毒性类别4(经口)
严重眼刺激类别2
皮肤致敏类别1
急性毒性类别4(吸入)
警示词Warning(警告)
危险描述H361 |怀疑对生育能力或胎儿造成损害.
H302 |吞咽有害.
H319 |造成严重眼刺激.
H317 |可能引起皮肤过敏反应.
H332 |吸入有害.
防范说明P261-P264-P270-P272-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
UN编号NONH for all modes of transport
危险品标志Xn
安全声明26-27-36-45-36/37
危险类别码43-62-63-22
WGK Germany3

欧盟法规

REACH注册ECHA物质ECHA物质化妆品禁用物质清单C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 Methimazole 主要起始原料 Potassium Thiocyanate And (2,2-Diethoxyethyl)Methylamine
(文献来源)合成步骤主要原料 Potassium Thiocyanate 和 (2,2-Diethoxyethyl)Methylamine

N-甲基咪唑置于正丁基锂,Sulfur体系中,用四氢呋喃,正己烷作为反应溶剂,化学反应生成甲巯咪唑
参考文献:甲巯咪唑的可扩展工艺
标题:甲巯咪唑的可扩展工艺
摘要:观测到咪唑羧酸盐的碱水解是可扩展合成抗甲状腺药物甲巯咪唑的有效途径.3-甲基-2-硫代-2,3-二氢-1H-咪唑-1-甲酸乙酯 (12) 是 1-甲基-1H-咪唑 (4) 与氯甲酸乙酯 (11) 反应中的关键中间体) 和硫磺.化合物12在碱存在下分两步水解得到甲巯咪唑(1),总收率为78%.该过程通过质量源于设计 (Qbd) 概念进行了研究,并观测到其稳健性.
DOI:10.1021/acs.Oprd.2C00185

专利信息

专利号:EP-0310950-B1
优先权日:1983-11-18
标题 :Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes
摘要:Compounds of the types (I) and (II) are disclosed, wherein each R5 is independently selected from the group consisting of alkyl of one to about four carbon atoms, alkoxy of one to about four carbon atoms and halogen, and n is an integer from 0 to 2, with the proviso that if n is 2, then said R5 substituents together contain no more than 6 carbon atoms; R6 is selected from the group consisting of hydroxyalkyl of one to about six carbon atoms and cyclohexylmethyl; and R7 is selected from the group consisting of alkyl of one to about four carbon atoms and hydrogen. These compounds may be used as intermediates for the synthesis of 1H-imidazo[4,5-c]quinoline derivatives.

专利号:US-2024082118-A1
优先权日:2021-05-19
标题:Topical compositions and methods of preparing the same
发明人：ABRAMOVICH SAGI; AVIDOR GAL; LANDA BENZION
权利人:LANDA LABS 2012 LTD
摘要:There is disclosed a composition comprising a water-insoluble thermoplastic compound capable of stimulating collagen synthesis (CSSC), the CSSC having a molecular weight of more than 0.6 kDa and being dispersed in a polar carrier as nano-elements having an average diameter of 200 nm or less and a viscosity of 107 mPaÂ·s or less. The nano-elements of CSSC can be capable of stimulating the synthesis of skin proteins and/or enabling the delivery of active agents upon their application to a surface to be treated therewith. Methods for preparing the compositions and uses thereof are also provided.

专利号:US-2003232952-A1
优先权日:2001-02-02
标题:Design and synthesis of instant - degradable plastics
发明人：ROSEN OREN
摘要:A novel class of instant degradable synthetic polymeric plastics having the characteristics and properties of conventional forms of plastics is developed by providing a new application advantage of incorporating latent, labile, dormant chemical bond nuclei such as disulfide and sulfenyl derivatives of the plastic compounds with latent nucleophilic properties. The special advantage of the instant degradable polymers over the existing biodegradable and other degradable polymer counterparts, is their engineering and design, which makes the kinetics of their degradation instant, and the chemical and physical properties of their by-products allows soluble dissolution into non-toxic aqueous solvent media, thus enabling a practical treatment of waste and avoiding bio-hazardous pollution of the environment. These novel plastic products are made from a variety of compositions of polymers and their compatible nontoxic modifiers. The resulting novel instant degradable plastic products retain latent dormant solubility properties that are triggered upon mild chemical reaction, thus enabling cost effective and facile recycling of plastic refuge.

专利号:US-5663342-A
优先权日:1994-03-08
标题 :2-chloro and 2-bromo derivatives of 1,5-iminosugars
发明人：BARTA THOMAS E; MUELLER RICHARD A
权利人:SEARLE & CO
摘要:Novel 2-chloro and 2-bromo derivatives of 1,5-iminosugars are disclosed, especially such derivatives of 1,5-dideoxy-1,5-imino-D-glucitol. These compounds are useful inhibitors of glucosidase enzymes and also are useful as antiviral agents and as intermediates for the synthesis of other enzyme inhibitors and antiviral compounds.

专利号:US-8378072-B2
优先权日:2006-04-13
标题 :Methods for designing and synthesizing directed sequence polymer compositions via the directed expansion of epitope permeability
发明人：BONNIN DUSTAN
权利人:DECLION PHARMACEUTICALS INC; BONNIN DUSTAN
摘要:The instant invention comprises a process for the solid phase synthesis of directed epitope peptide mixtures useful in the modulation of unwanted immune responses, such process defined by a set of rules regarding the identity and the frequency of occurrence of amino acids that substitute a base or native amino acid of a known epitope. The resulting composition is a mixture of related peptides for therapeutic use.

专利号:US-7807837-B2
优先权日:2004-05-07
标题 :Scalable synthesis of imidazole derivatives
发明人：JONES TODD K; MANI NEELAKANDHA
权利人:JANSSEN PHARMACEUTICA NV
摘要:Imidazole derivatives, compositions containing them, methods of preparing them, including regioselective scale-up synthetic methods, and methods of using them.

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