2-氨基丁酸乙酯盐酸盐 | 55410-21-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氨基丁酸乙酯盐酸盐
• 中文别名: 2-氨基丁酸盐酸盐乙酯；2-氨基丁酸盐酸盐乙基
• 英文名称: ethyl 2-aminobutyrate hydrochloride
• 英文别名: ethyl 2-aminobutanoate;hydrochloride
• CAS: 55410-21-4
• 化学式: C₆H₁₄NO₂*Cl
• 分子量: 167.636
• InChiKey: SWNBPYRQCHSZSE-UHFFFAOYSA-N

物化性质

• 熔点：
  136-138 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl alfa-amino butyrate, HCl
Synonyms:

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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: Ethyl alfa-amino butyrate, HCl
CAS number: 55410-21-4

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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: C6H13NO2.ClH
Molecular weight: 167.6

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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 chloride.

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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：

  2-氨基丁酸乙酯盐酸盐 在 sodium hydroxide 作用下， 生成 DL-2-氨基丁酸
  参考文献：
  名称：

  氨基酸的合成。甘氨酸乙酯的醛亚胺和酮亚胺衍生物在各种相转移条件下的烷基化

  摘要：

  衍生自甘氨酸乙酯和对氯苯甲醛的Sciff碱可以通过离子对萃取法以及在催化的液-液或固-液相转移条件下烷基化。将该亚胺与相应的二苯甲酮席夫碱进行比较。

  DOI：

  10.1016/s0040-4039(00)88718-3
• 作为产物：
  描述：

  DL-2-氨基丁酸 以 乙醚 、 乙醇 为溶剂， 生成 2-氨基丁酸乙酯盐酸盐
  参考文献：
  名称：

  Hypolipidaemic condensed 1,4-thiazepines

  摘要：

  该发明提供了一种式（I）的化合物，其中n是从0到2的整数；R是可选取代基；R.sup.1是氢或C.sub.1-6烷基；R.sup.2是从氢、C.sub.1-4烷基（包括环烷基和环烷基烷基）、C.sub.1-4烷氧基、吡啶基、噻吩基、吡啶基、1,3-苯并二氧杂环戊烷基、苯基和萘基中选择的原子或基团，这些基团可选择性地取代；R.sup.3是氢、OH、C.sub.1-6烷基、C.sub.1-6烷氧基或--O C.sub.1-6酰基；R.sup.4是独立选择的来自C.sub.1-6烷基（包括环烷基和环烷基烷基）、C.sub.2-6烯基和C.sub.2-6炔基的基团，这些基团可选择性地取代；R.sup.5是独立选择的来自C.sub.2-6烷基（包括环烷基和环烷基烷基）、C.sub.2-6烯基和C.sub.2-6炔基的基团，这些基团可选择性地取代；或者R.sup.4和R.sup.5，与它们连接的碳原子一起，形成可选择性取代的C.sub.3-7螺环烷基；R.sup.6和R.sup.7独立选择自氢和C.sub.1-6烷基；X是具有5到10个碳原子的芳香或非芳香单环或双环环系统（包括构成噻吩环的两个碳原子），其中可选择性地一个或多个碳原子被氮、氧和硫独立选择的杂原子取代，或X是具有5到10个碳原子的芳香或非芳香单环或双环环系统（包括构成噻吩环的两个碳原子），其中一个或多个碳原子被氮、氧和硫独立选择的杂原子取代；以及其盐、溶剂化合物和生理功能衍生物，包括这些化合物的药物配方，用于减少胆酸吸收，从而作为降脂化合物的制备过程和应用。

  公开号：

  US05817652A1
• 作为试剂：
  描述：

  1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-[N-((R)-α-carboxy-4-hydroxybenzyl)carbamoylmethoxy]-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine 、 2-氨基丁酸乙酯盐酸盐 在 2-氨基丁酸乙酯盐酸盐 作用下， 以66的产率得到1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N-((S)-1-carboxypropyl)carbamoyl]-4-hydroxybenzyl})carbamoylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine
  参考文献：
  名称：

  Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia

  摘要：

  本发明涉及公式（I）的化合物，其中Rv，R1，R2，Rx，Ry，M，Rz，v，R3，R4，R5和R6如定义中所述；其药学上可接受的盐，该盐的溶剂，该盐的溶剂和它们的前药，以及它们作为肠末端胆酸转运（IBAT）抑制剂用于治疗高脂血症的用途。还描述了它们的制造过程和含有它们的药物组合物。

  公开号：

  US07132416B2

文献信息

• Hypolipidemic alkenesulfonamides
  申请人：Pfizer Inc.

  公开号：US03983107A1

  公开（公告）日：1976-09-28

  Method for lowering blood liped levels in mammals, using certain derivatives of N-carbamoyl-2-phenylethenesulfonamide, many of which are novel.

  在哺乳动物中降低血脂水平的方法，使用N-氨基甲酰基-2-苯乙烯磺酰胺的某些衍生物，其中许多是新颖的。
• BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS
  申请人：Albireo AB

  公开号：US20190367467A1

  公开（公告）日：2019-12-05

  The invention relates to 1,5-benzothiazepine and 1,2,5-benzothiadiazepine derivatives of formula (I). These compounds are bile acid modulators having apical sodium-dependent bile acid transporter (ASBT) and/or liver bile acid transport (LBAT) inhibitory activity. The invention also relates to pharmaceutical compositions comprising these compounds and to the use of these compounds in the treatment of cardiovascular diseases, fatty acid metabolism and glucose utilization disorders, gastrointestinal diseases and liver diseases.

  本发明涉及式(I)的1,5-苯并噻嗪和1,2,5-苯并噻二嗪衍生物。这些化合物是胆酸调节剂，具有顶端钠依赖性胆酸转运蛋白（ASBT）和/或肝脏胆酸转运（LBAT）抑制活性。本发明还涉及包含这些化合物的药物组合物，以及这些化合物在治疗心血管疾病、脂肪酸代谢和葡萄糖利用障碍、胃肠疾病和肝脏疾病中的用途。
• Hypolipidemic 1,4-benzothiazepine derivative
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP1203769A1

  公开（公告）日：2002-05-08

  The invention is concerned with a novel hypolipidemic compound, which is of (3R,5R)-3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-5-phenyl-1,4-benzothiazepin-8-ol 1,1-dioxide; or a salt, solvate, or physiologically functional derivative thereof, with processes for its preparation, pharmaceutical compositions containing it and with its use in medicine, particularly in the prophylaxis and treatment of hyperlipidemic conditions, such as athersclerosis.

  这项发明涉及一种新型降脂化合物，即(3R,5R)-3-丁基-3-乙基-2,3,4,5-四氢-7-甲氧基-5-苯基-1,4-苯并噻吩-8-醇-1,1-二氧化物；或其盐、溶剂合物或生理功能衍生物，以及其制备方法、含有它的药物组合物，以及在医学中的应用，特别是在预防和治疗高脂血症等高脂血症状况中的使用。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：Saito David Yoshihito

  公开号：US20070078128A1

  公开（公告）日：2007-04-05

  The present invention provides compounds of formula I where R 1 to R 4 are as defined herein which are useful for treating or preventing an human immunodeficiency virus (HIV) infection, or treating AIDS or ARC. The invention further provides for methods of treating or preventing HIV infection with compounds according to formula I and compositions containing the same. The invention still further provides process for the preparation of compounds of formula I wherein R 4 is A 1 and X 1 is NH or O.

  本发明提供了式I化合物，其中R1至R4如本文所定义，这些化合物可用于治疗或预防人类免疫缺陷病毒（HIV）感染，或治疗艾滋病或艾滋病相关复合征（ARC）。本发明还提供了使用式I化合物治疗或预防HIV感染的方法以及含有这些化合物的组合物。本发明进一步提供了制备式I化合物的方法，其中R4是A1，X1是NH或O。
• Influence des substituants sur la vitesse de racémisation des cétones à carbone dissymétrique en alpha
  作者：A. K. Mills、A. E. Wilder Smith

  DOI：10.1002/hlca.19600430705

  日期：——

  The rates of racemisation, under constant conditions of pH and temperature, of two series of ketones with an asymmetric C-atom in α have been determined. As would be expected, substituents in the α position to the keto group influence the rate of racemisation, and it has been found possible to assess the relative electron donating or electron attracting effect of aliphatic, aliphatic-aromatic or aromatic

  确定了在恒定的pH和温度条件下，α原子中具有不对称C原子的两个酮的外消旋化速率。如所期望的，在酮基的α位上的取代物影响外消旋化的速率，并且已经发现可以通过测量它们对脂族，脂族-芳族或芳族取代基的相对给电子或吸电子效应进行评估。含有所考虑的替代品的酮的外消旋化速率。