2731-73-9

• 常用中文名：3-氯-L-丙氨酸
• 常用英文名：3-Chloro-L-alanine
• CAS号：2731-73-9
• 分子式：C₃H₆ClNO₂
• 分子量：123.538
• 相关类别： 生物化工 氨基酸及其衍生物 丙氨酸类衍生物
• 发布时间：2018-04-23 08:00:00
• 更新时间：2024-01-01 22:22:12
• β-Chloro-L-alanine是抑制多种酶的抑菌氨基酸类似物,抑制包括苏氨酸脱氨酶和丙氨酸消旋酶。

名称

• 中文名: 3-氯-L-丙氨酸
• 英文名: 3-chloro-L-alanine
• 中文别名: (S)-3-氯丙氨酸; L-3-氯丙氨酸; S-3-氯-丙氨酸
• 英文别名: (2R)-2-amino-3-chloropropanoic acid; DL-Alanine, 3-chloro-; L-Alanine, 3-chloro-; (R)-2-Amino-3-chloropropanoic acid; 3-Chloro-L-alanine; 2-amino-3-chloropropanoic acid; Alanine,3-chloro; L-Alanine,3-chloro; β-Chloro-L-alanine

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 243.6±30.0 °C at 760 mmHg
• 熔点: 156 °C
• 分子式: C₃H₆ClNO₂
• 分子量: 123.538
• 闪点: 101.1±24.6 °C
• 精确质量: 123.008705
• PSA: 63.32000
• LogP: -0.13
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.499
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 水溶解性: 可溶
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-2.8

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积63.3

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:75.3

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：白色结晶性粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：156

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,33mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于水

生物活性

• 描述: β-Chloro-L-alanine是抑制多种酶的抑菌氨基酸类似物,抑制包括苏氨酸脱氨酶和丙氨酸消旋酶。
• 相关类别:
  信号通路 >> 抗感染 >> 细菌
  研究领域 >> 感染
• 靶点:

  Bacterial[1]

• 体外研究: β-氯-L-丙氨酸可以抑制苏氨酸脱氨酶,支链氨基酸转氨酶(转氨酶B),L-天冬氨酸-脱羧酶,丙氨酸消旋酶和可能的O-乙酰丝氨酸硫氢化酶。 β-氯-L-丙氨酸可逆地抑制大肠杆菌K-12丙氨酸-缬氨酸转氨酶,转氨酶C.这种抑制作用与转氨酶B的抑制一起,解释了大肠杆菌在存在的情况下对异亮氨酸加缬氨酸的需求。 β氯-L-丙氨酸。如果将异亮氨酸和缬氨酸添加到培养基中并且假定生长要求是由于转氨酶B的抑制[1],那么鼠伤寒沙门氏菌LT2将在BCA存在下生长。
• 参考文献:

  [1]. β-Chloro-L-alanine can inhibits threonine deaminase, the branched-chain amino acid transaminase (transaminase B), L-aspartate-pdecarboxylase, alanine racemase and probably O-acetylserine sulfhydrylase. β-Chloro-L-alanine reversibly inhibits the Escherichia coli

MSDS

Name: 3-Chloro-L-alanine Material Safety Data Sheet Synonym: CAS: 2731-73-9 Section 1 - Chemical Product MSDS Name:3-Chloro-L-alanine Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2731-73-9 3-Chloro-L-alanine unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2731-73-9: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C3H6ClNO2 Molecular Weight: 123.5005 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2731-73-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chloro-L-alanine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. 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. WGK (Water Danger/Protection) CAS# 2731-73-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2731-73-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2731-73-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C
• 安全声明 (欧洲): 24/25
• 海关编码: 2922499990

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海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%