氨基亚氨基硫代甲基氢碘酸 | 4338-95-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 中文名称: 氨基亚氨基硫代甲基氢碘酸
• 中文别名: S-甲基异硫脲氢碘酸盐
• 英文名称: S-methylthiouronium iodide
• 英文别名: S-methylisothiouronium iodide；S-methylisothiourea hydroiodide；methyl carbamimidothioate hydroiodide；S-methylisothiuronium iodide；2-methylisothiouronium iodide；2-methyl-2-thiopseudourea hydroiodide；Hydron;methyl carbamimidothioate;iodide；hydron;methyl carbamimidothioate;iodide
• CAS: 4338-95-8
• 化学式: C₂H₇N₂S*I
• 分子量: 218.061
• InChiKey: LFXAECSQJSRSTP-UHFFFAOYSA-N

物化性质

• 熔点：
  82 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.2
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090
• 储存条件：
  存储条件：2-8°C，避光，密封于惰性气体中保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl aminomethanimidothioate hydroiodide
Synonyms: S-Methylisothiourea hydroiodide

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Methyl aminomethanimidothioate hydroiodide
CAS number: 4338-95-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C2H6N2S.HI
Molecular weight: 218.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen Iodide, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  氨基亚氨基硫代甲基氢碘酸 在 sodium hydrogen selenide 作用下， 以 乙醇 为溶剂， 生成 硒脲
  参考文献：
  名称：

  Synthesis of selenoureas and selenothiocarbamic esters from thioureas

  摘要：

  DOI：

  10.1021/jo01263a070
• 作为产物：
  描述：

  硫脲 生成 氨基亚氨基硫代甲基氢碘酸
  参考文献：
  名称：

  Certain 2,4-diamino-5-(2,3,5-TRI-chlorophenyl)-6-substituted-pyrimidines

  摘要：

  揭示了一类取代苯基嘧啶化合物，它们是兴奋性氨基酸谷氨酸的有效抑制剂。这种化合物在治疗或预防一系列中枢神经系统疾病中很有用，包括脑缺血损伤和癫痫。

  公开号：

  US05587380A1
• 作为试剂：
  描述：

  3-(4-chlorophenyl)-N-((4-(pentafluoro-6-sulfonamido)phenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-formamide 在 五氯化磷 、 氨基亚氨基硫代甲基氢碘酸 、 三乙胺 作用下， 以 氯苯 、 甲醇 、 二氯甲烷 为溶剂， 以41 %的产率得到methyl (E)-N'-((E)-(3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(((4-(pentafluoro-6-sulfonyl)phenyl)sulfonyl)imino)methyl)carbamoamidothiocarbamate
  参考文献：
  名称：

  一种取代脒类化合物的合成方法及其用途

  摘要：

  本发明提公开了一种取代脒类化合物的合成方法及其用途，属于化学医药领域。本发明提供如式(I)所示取代脒类化合物，或其药学上可接受的盐、前药、水合物或溶剂化合物、晶型、立体异构体或同位素变体，可作为CB1抑制剂，用于治疗和/或预防肥胖、糖尿病、肾病等代谢相关疾病。#imgabs0#

  公开号：

  CN117362231A

文献信息

• Synthesis and antiproliferative activity of novel symmetrical alkylthio- and alkylseleno-imidocarbamates
  作者：Elena Ibáñez、Daniel Plano、María Font、Alfonso Calvo、Celia Prior、Juan Antonio Palop、Carmen Sanmartín

  DOI：10.1016/j.ejmech.2010.11.013

  日期：2011.1

  in the five cell lines tested. Therefore, compounds 2b and 8b were evaluated by flow cytometric analysis for their effects on cell cycle distribution and apoptosis in MCF-7 cells. 2b was the most active, with an apoptogenic effect similar to camptothecin, which was used as a positive control. Both of them provoked cell cycle arrest leading to the accumulation of cells in either G2/M and S phase. These

  这里描述的研究涉及一系列三十种新的对称取代的亚氨基硫代氨基甲酸酯和亚氨基硒代氨基甲酸酯衍生物的合成及其在体外对五种人类肿瘤细胞系的抗肿瘤活性的评估：乳腺腺癌（MCF-7），结肠癌（HT- 29），淋巴细胞白血病（K-562），肝癌（Hep-G2），前列腺癌（PC-3）和一种非恶性乳腺衍生细胞系（MCF-10A）。在至少一种细胞系中，十八种化合物的GI 50值低于10μM。事实证明，两种癌细胞（MCF-7和HT-29）对5种化合物（1b，2b，3b，4b和5b）最敏感），其生长抑制在纳摩尔范围内，化合物1b，3b，7b，8b和9b的值小于1μM。此外，所有上述化合物均显示出较低的GI 50比一些标准的化学治疗药物的参考值高。结果还表明，在硒位置的脂族链的性质（甲基比苄基更好）和杂原子的性质（Se比S更好）对化合物的抗增殖活性有显着影响。这些发现加强了我们先前关于硒甲基作为此类化合物生物活性支
• [EN] COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE LA MUCOSVISCIDOSE
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2015003083A1

  公开（公告）日：2015-01-08

  Described herein are compounds, compositions, and methods of their use for the treatment of cystic fibrosis.

  本文描述了用于治疗囊性纤维化的化合物、组合物及其使用方法。
• [EN] CYSTATHIONINE-Y-GAMMA-LYASE (CSE) INHIBITORS<br/>[FR] INHIBITEURS DE LA CYSTATHIONINE-Y-GAMMA-LYASE (CSE)
  申请人：SOVA PHARMACEUTICALS INC

  公开号：WO2014018569A1

  公开（公告）日：2014-01-30

  Described herein are compounds and pharmaceutical compositions containing such compounds which inhibit cystathionine-γ- lyase (CSE). Also described herein are methods for using such CSE inhibitors, alone or in combination with other compounds, for treating diseases or conditions that would benefit from CSE inhibition.

  本文描述了抑制半胱氨酸-γ-裂解酶（CSE）的化合物和含有这些化合物的药物组合物。本文还描述了使用这些CSE抑制剂的方法，单独或与其他化合物结合，用于治疗需要CSE抑制的疾病或症状。
• Synthesis and Neuropeptide Y Y1 Receptor Antagonistic Activity ofN,N-Disubstituted ω-Guanidino- and ω-Aminoalkanoic Acid Amides
  作者：Manfred Müller、Sebastian Knieps、Karin Geßele、Stefan Dove、Günther Bernhardt、Armin Buschauer

  DOI：10.1002/ardp.19973301104

  日期：——

  receptor antagonist activity. In search of new chemical leads for the development of more potent NPY antagonists, a series of N,N‐disubstituted ω‐guanidino and ω‐aminoalkanoic acid amides were synthesized on the basis of structure‐activity relationships and molecular modeling studies of arpromidine and related imidazolylpropylguanidines. In one group of compounds the imidazole ring was retained whereas

  强效的阿普脒型组胺 H2 受体激动剂，如 BU-E-76 (He 90481) 是首批报告显示弱神经肽 Y (NPY) Y1 受体拮抗剂活性的非肽类药物之一。为了寻找新的化学线索以开发更有效的 NPY 拮抗剂，基于阿普米啶和相关药物的结构-活性关系和分子模型研究，合成了一系列 N,N-双取代 ω-胍基和 ω-氨基链烷酸酰胺。咪唑基丙基胍。在一组化合物中，咪唑环被保留，而在第二组中，它被苯酚基团取代，代表 NPY 中 Tyr36 的推定模拟物。虽然替换模式还没有优化，标题化合物是人红白血病 (HEL) 细胞中的 NPY Y1 拮抗剂（Ca2 + 测定），pKB 值在 6.3-6.6 范围内。对于在离体豚鼠右心房中测试的代表性新物质，未发现组胺 H2 受体激动作用。在 N-（二苯基烷基）酰胺系列中，具有三亚甲基链的化合物是比乙烯同系物更具活性的 Y1 拮抗剂。关于 ω - 氨基或 ω - 胍基
• Convenient synthesis of 2-substituted 5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-ones
  作者：Eszter Kókai、József Nagy、Tünde Tóth、József Kupai、Péter Huszthy、Gyula Simig、Balázs Volk

  DOI：10.1007/s00706-015-1634-1

  日期：2016.4

  AbstractA new synthetic route was elaborated at our laboratory providing a convenient access to 5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-ones (diazaoxindoles), a compound family of biological relevance. Treatment of the easily available ethyl 2-(4-chloropyrimidin-5-yl)acetate derivatives with ammonia afforded the corresponding 2-(4-aminopyrimidin-5-yl)acetamides, which were finally cyclized to the

  摘要在我们的实验室精心设计了一条新的合成路线，可方便地获得5,7-dihydro-6 H -pyrrolo [2,3- d ] pyrimidin-6-ones（diazaoxindoles），这是一种具有生物相关性的化合物。用氨处理易于获得的2-（4-氯嘧啶-5-基）乙酸乙酯衍生物，得到相应的2-（4-氨基嘧啶-5-基）乙酰胺，其最终环化为目标化合物。 图形概要