溴代硫代乙酰胆碱 | 25025-59-6

• 物质功能分类: 化学试剂 - 有机试剂 - 胺盐（铵盐）
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 溴代硫代乙酰胆碱
• 中文别名: 硫代溴代乙酰胆碱；溴化乙酰硫代胆碱；乙酰溴化硫代胆碱；溴化硫代乙酰胆碱；溴化乙酰基硫代胆碱
• 英文名称: (2-acetylthioethyl)trimethylammonium bromide
• 英文别名: S-acetylthiocholine bromide；acetylthiocholine bromide；(2-acetylsulfanyl-ethyl)-trimethyl-ammonium; bromide；(2-Acetylmercapto-aethyl)-trimethyl-ammonium; Bromid；2-acetylthioethyltrimethylammonium bromide；Acetylthiolcholin；2-acetylsulfanylethyl(trimethyl)azanium;bromide
• CAS: 25025-59-6
• 化学式: Br*C₇H₁₆NOS
• 分子量: 242.18
• InChiKey: HQAPREJURVMGMB-UHFFFAOYSA-M

物化性质

• 熔点：
  217-223 °C (dec.)(lit.)
• 密度：
  1.3050 (estimate)
• 稳定性/保质期：

  避免接触强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.02
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2930909090

SDS

Name:	S-Acetylthiocholine Bromide 99% Material Safety Data Sheet
Synonym:	(2-Mercaptoethyl)trimethylammonium Bromide Acetate
CAS:	25025-59-6

Section 1 - Chemical Product MSDS Name:S-Acetylthiocholine Bromide 99% Material Safety Data Sheet
Synonym:(2-Mercaptoethyl)trimethylammonium Bromide Acetate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
25025-59-6	S-Acetylthiocholine Bromide	99	246-570-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 25025-59-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 217.00 - 223.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 223 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H16BrNOS
Molecular Weight: 242.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 25025-59-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
S-Acetylthiocholine Bromide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 25025-59-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25025-59-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25025-59-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

1. 生化研究，用于检测乙酰胆碱酯酶的底物。

用途简介 用途

1. 生化研究，用作乙酰胆碱酯酶的底物。

反应信息

• 作为反应物：
  描述：

  溴代硫代乙酰胆碱 在 phosphate buffer 、 5,5'-二硫双(2-硝基苯甲酸) 作用下， 以 水 为溶剂， 生成 硫代胆碱
  参考文献：
  名称：

  Nucleophilic esterolytic and displacement reactions of a micellar thiocholine surfactant

  摘要：

  DOI：

  10.1021/ja00522a053
• 作为产物：
  描述：

  (2-溴乙基)三甲基溴化铵 、 potassium thioacetate 以 水 为溶剂， 反应 16.0h， 以94%的产率得到溴代硫代乙酰胆碱
  参考文献：
  名称：

  半胱氨酸转化为脱氢丙氨酸能够获得具有多种翻译后修饰的合成组蛋白

  摘要：

  六个的价格：从一个单一的前体脱氢丙氨酸，六个不同的翻译后修饰可以位点选择性地安装在组蛋白上（见图），包括组蛋白的第一个位点选择性磷酸化和糖基化。报告了对全长修饰组蛋白的组蛋白脱乙酰酶活性的直接观察及其与染色质读取器和写入器/擦除器蛋白的相互作用。

  DOI：

  10.1002/anie.201106432

文献信息

• Drug and pharmaceutical composition for the treatment of lesions of the nervous system and fractions enriched in heparan sulfate
  申请人：——

  公开号：US20010023246A1

  公开（公告）日：2001-09-20

  Use of at least one polymer or one biopolymer called HBGFPP, specifically protecting the growth factors of FGFs and beta TGFs families from tryptic degradation in the manufacture of a drug for the treatment of lesions of the nervous system.

  使用至少一种聚合物或一种名为 HBGFPP 的生物聚合物，专门保护 FGFs 和 β TGFs 家族的生长因子不被胰蛋白酶降解，用于制造治疗神经系统病变的药物。
• Hansen, Acta Chemica Scandinavica (1947), 1957, vol. 11, p. 537,538
  作者：Hansen

  DOI：——

  日期：——
• Iwin, Zhurnal Obshchei Khimii, 1958, vol. 28, p. 1332; engl. Ausg. S. 1390
  作者：Iwin

  DOI：——

  日期：——
• Micellar alkylation: a methylating surfactant
  作者：Robert A. Moss、Winfred J. Sanders

  DOI：10.1016/s0040-4039(01)93619-6

  日期：1979.1
• US4279994A
  申请人：——

  公开号：US4279994A

  公开（公告）日：1981-07-21

表征谱图