1-氨基-2-甲基丙烷-2-硫醇 | 32047-53-3

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇盐
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 中文名称: 1-氨基-2-甲基丙烷-2-硫醇
• 中文别名: 二甲基半胱胺盐酸盐；二甲基半胱氨盐酸盐；甲基半胱氨盐酸盐
• 英文名称: 1-amino-2-methylpropane-2-thiol hydrochloride
• 英文别名: dimethyl cysteamine hydrochloride；1-amino-2-methyl-2-propanethiol hydrochloride；1-Amino-2-methylpropane-2-thiol;hydron;chloride
• CAS: 32047-53-3
• 化学式: C₄H₁₂NS*Cl
• 分子量: 141.665
• InChiKey: YZCAFAKJYGDMSY-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C
• 溶解度：
  可微溶于水

计算性质

• 辛醇/水分配系数(LogP)：
  1.08
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P260,P264,P270,P273,P280,P301+P312+P330,P304+P312,P305+P351+P338,P314,P337+P313,P391,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H319,H332,H372,H400
• 储存条件：
  存储条件为2-8℃，需置于惰性气体环境中。

SDS

Product Name 1-AMINO-2-METHYL-2-PROPANETHIOL HYDRO- &
2 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes, respiratory system and skin.
3 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
1-AMINO-2-METHYL-2-PROPANETHIOL 32047-53-3 None None
HYDRO-CHLORIDE, 97%
Formula C4H11NS
Molecular Weight 141,6700 AMU
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Evacuate area.
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear self-contained breathing apparatus, rubber boots, and heavy
rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing.
STORAGE
Conditions of Storage: Keep tightly closed. Store in a cool dry
place.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Use only in a chemical fume hood.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling. Wash contaminated clothing before
reuse.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
9 - Physical and Chemical Properties
pH N/A
BP/BP Range N/A
MP/MP Range 243,000 °C
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
10 - Stability and Reactivity
STABILITY
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Sulfur oxides, Hydrogen chloride gas.
11 - Toxicological Information
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
Nausea, headache, and vomiting. Exposure can cause:
ROUTE OF EXPOSURE
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract.
Multiple Routes: May be harmful by inhalation, ingestion, or
skin absorption. Causes eye and skin irritation.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
UN#: 3335
Class: 9
Proper Shipping Name: Aviation Regulated Solid, N.O.S.
Inhalation Packing Group I: No
Technical Name: Required
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36/37/38
Irritating to eyes, respiratory system and skin.
S-PHRASES: 26-36
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice. Wear suitable protective
clothing.
Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

概述

半胱胺盐酸盐（CSH）是一种重要的化工原料和医药中间体，具有显著的生理作用和良好的络合性。它广泛应用于化妆品、医药、动物饲料添加剂以及生物材料如烷基化、生物芯片和生化制药等领域。

应用

1-氨基-2-甲基丙烷-2-硫醇是一种硫醇类有机物，可用作医药中间体。而二甲基半胱胺盐是CSH的一种，它也是重要的化工原料和医药中间体，主要用于生产兽药沃尼妙林。

反应信息

• 作为反应物：
  描述：

  1-氨基-2-甲基丙烷-2-硫醇 在 亚硝酸特丁酯 作用下， 以 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以15%的产率得到2-Methyl-2-(nitrosothio)propylamine hydrochloride
  参考文献：
  名称：

  Nitric oxide donors, compositions and methods of use related applications

  摘要：

  该发明描述了新颖的一氧化氮供体和至少含有一个一氧化氮供体的新型组合物。该发明还提供了至少含有一个一氧化氮供体的新型组合物，以及可选地至少含有一个治疗剂。该发明的化合物和组合物也可以与基质结合。该发明还提供了治疗心血管疾病的方法，用于抑制血液暴露于医疗器械引起的血小板聚集和血小板粘附，用于治疗由于异常细胞增殖导致的病理状况；移植排斥、自身免疫、炎症、增殖、过度增殖、血管疾病；用于减少瘢痕组织或抑制伤口收缩，特别是通过给予一氧化氮供体的预防性和/或治疗性治疗以及至少一个治疗剂的组合来治疗再狭窄的方法。该发明还提供了治疗炎症、疼痛、发热、胃肠道疾病、呼吸道疾病和性功能障碍的方法。一氧化氮供体可以捐赠、转移或释放一氧化氮，并/或提高内源性内皮血管舒张因子的水平，并/或刺激内源性一氧化氮的合成和/或是一氧化氮合酶的底物，能够在生理条件下释放一氧化氮或间接地将一氧化氮传递或转移至靶向部位。治疗剂可以选择性地用至少一个NO和/或NO2基（即亚硝基化和/或亚硝化）替代。该发明还提供了至少含有一个一氧化氮供体和/或至少一个治疗剂的新型组合物和试剂盒。

  公开号：

  US20030203915A1
• 作为产物：
  描述：

  5,5-dimethyl-2-(2-pyridyl)thiazolidine 在 盐酸 作用下， 以 水 为溶剂， 反应 40.0h， 以31.6 g的产率得到1-氨基-2-甲基丙烷-2-硫醇
  参考文献：
  名称：

  一种合成二甲基半胱胺盐酸盐的工艺

  摘要：

  本发明涉及一种合成二甲基半胱胺盐酸盐的工艺，以异丁醛为起始原料，经过缩合、还原、开环再关环、开环反应制得。发明的有益效果是：通过在缩合反应中用氨水代替氨气，以及在还原反应中将硼氢化钠溶液从液面以下直接投入反应体系中，提高了反应的效率；在开环反应中保留了苯肼作为开环试剂，但将开环产品在体系中不经分离重新关环，将再关环的产品经过精馏纯化后，再在酸性条件下开环得到目标化合物，大大减少了有毒物质苯肼的残留量。

  公开号：

  CN106565563A

文献信息

• CLEAVABLE CONJUGATES OF TLR7/8 AGONIST COMPOUNDS, METHODS FOR PREPARATION, AND USES THEREOF
  申请人：Dynavax Technologies Corporation

  公开号：US20190151462A1

  公开（公告）日：2019-05-23

  The present disclosure relates to cleavable conjugates (for example, particle-based or antibody-based conjugates) of TLR7/8 agonists (for example, 1H-imidazo[4,5-c]quinoline derivatives) containing a conjugation linker, a cleavable linker, and a self-eliminating linker. The present disclosure also related to methods for preparation of the cleavable conjugates, uses thereof for stimulating an effective immune response, and uses thereof for the treatment of cancer.

  本公开涉及可切割的结合物（例如，基于颗粒或抗体的结合物），其中包含TLR7/8激动剂（例如，1H-咪唑[4,5-c]喹啉衍生物），包括结合连接物、可切割连接物和自消除连接物。本公开还涉及制备可切割结合物的方法，以及将其用于刺激有效的免疫反应和用于癌症治疗的用途。
• Study on the Structure-Activity Relations of Pleuromutilin Derivatives with an Aromatic Amide and a Thioether Group in the C₁₄ side Chain
  作者：Ke-ping Xu、Yuan-yuan Zhang、Juan Luo、Shan-li Chen、Yu-liang Wang

  DOI：10.3184/030823410x12744531851242

  日期：2010.6

  Nine novel pleuromutilin derivatives having benzamide substituents have been synthesised permitting structure-activity relations of pleuromutilin derivatives with aromatic amide and thioether groups in the C₁₄ side chain to be studied. The results showed that the heterocyclic carboxamide group was necessary to enhance bio-activities.

  我们合成了九种带有苯甲酰胺取代基的新型褶菌林衍生物，从而研究了 C14 侧链中带有芳香酰胺和硫醚基团的褶菌林衍生物的结构-活性关系。结果表明，杂环羧酰胺基团是提高生物活性的必要条件。
• FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR
  申请人：JACOBIO PHARMACEUTICALS CO., LTD.

  公开号：US20210163478A1

  公开（公告）日：2021-06-03

  A compound represented by formula I or a pharmaceutically acceptable salt thereof and a use thereof in preparing a drug for treating, stopping or preventing a disease or disorder mediated by FGFR4 activity.

  由式I表示的化合物或其药学上可接受的盐以及其在制备用于治疗、阻止或预防由FGFR4活性介导的疾病或紊乱的药物中的用途。
• [EN] CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES<br/>[FR] DÉRIVÉS DE BIS-BENZODIAZÉPINE CYTOTOXIQUES ET LEURS CONJUGUÉS AVEC DES AGENTS DE LIAISON À UNE CELLULE POUR INHIBER LA CROISSANCE CELLULAIRE ANORMALE OU POUR TRAITER DES MALADIES PROLIFÉRATIVES
  申请人：IMMUNOGEN INC

  公开号：WO2020205564A1

  公开（公告）日：2020-10-08

  The invention relates to benzodiazepine derivatives with antiproliferative activity and more specifically to benzodiazepine compounds of formulae (I), (II), (TI) and (T2). The invention also provides conjugates of the benzodiazepine compounds linked to a cell-binding agent. The invention further provides compositions and methods for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention.

  这项发明涉及具有抗增殖活性的苯二氮䓬啶衍生物，更具体地涉及具有式(I)、(II)、(TI)和(T2)的苯二氮䓬啶化合物。该发明还提供了与细胞结合剂连接的苯二氮䓬啶化合物的结合物。该发明还提供了使用该发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的组合物和方法。
• Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use
  申请人：NitroMed, Inc.

  公开号：US06297260B1

  公开（公告）日：2001-10-02

  The present invention describes novel nitrosated and/or nitrosylated nonsteroidal antiinflammatory compounds, and novel compositions comprising at least one nitrosated and/or nitrosylated nonsteroidal antiinflammatory compound, and, optionally, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase. The present invention also provides methods for treating, preventing and/or reducing inflammation, pain, and fever; decreasing or reversing the gastrointestinal, renal and other toxicities resulting from the use of nonsteroidal antiinflammatory drugs; treating and/or preventing gastrointestinal disorders; treating inflammatory disease states and disorders; and treating and/or preventing ophthalmic diseases or disorders.

  本发明描述了新颖的硝化和/或亚硝化非甾体抗炎化合物，以及包含至少一种硝化和/或亚硝化非甾体抗炎化合物的新型组合物，还可以包含至少一种捐赠、转移或释放一氧化氮、提高内源性内皮源性舒张因子水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物的化合物。本发明还提供了治疗、预防和/或减轻炎症、疼痛和发热的方法；减少或逆转使用非甾体抗炎药物导致的胃肠道、肾脏和其他毒性反应；治疗和/或预防胃肠道疾病；治疗炎症性疾病状态和疾病；以及治疗和/或预防眼科疾病或疾病的方法。