5-氨基戊酸乙酯盐酸盐 | 29840-57-1

• 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: 5-氨基戊酸乙酯盐酸盐
• 英文名称: ethyl 5-aminovalerate hydrochloride
• 英文别名: ethyl 5-aminopentanoate hydrochloride；5-aminovaleric acid ethyl ester hydrochloride；ethyl 5-aminopentanoate;hydrochloride
• CAS: 29840-57-1
• 化学式: C₇H₁₅NO₂*ClH
• mdl: MFCD12546205
• 分子量: 181.663
• InChiKey: JELXJZASXLHKDV-UHFFFAOYSA-N

物化性质

• 熔点：
  77-80 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 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：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Ethyl 5-aminovalerate, HCl
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ethyl 5-aminovalerate, HCl
Ingredient name:
CAS number: 29840-57-1

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H15NO2.ClH
Molecular weight: 181.7

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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：

  5-氨基戊酸乙酯盐酸盐 在 sodium hydroxide 、 甲苯 作用下， 生成 5,5'-ureylenedipentanoic acid
  参考文献：
  名称：

  5-CARBOXYVALEROHYDROXAMIC ACID, 5-CARBOXYVALERYL AZIDE, 3-CARBOXYPROPIONOHYDROXAMIC ACID, o-CARBOXYBENZOHYDROXAMIC ACID, AND POLYAMIDES PREPARED FROM THEM BY REARRANGEMENT

  摘要：

  DOI：

  10.1021/jo01140a013
• 作为产物：
  描述：

  5-氨基颉草酸 在 氯化亚砜 作用下， 以 氢氧化钾 、 乙醚 、 乙醇 为溶剂， 生成 5-氨基戊酸乙酯盐酸盐
  参考文献：
  名称：

  N.sup.6 -Substituted adenosines

  摘要：

  揭示了公式I中的新型N.sup.6-腺苷化合物。这些新型化合物可用作降压剂。

  公开号：

  US04340730A1

文献信息

• [EN] A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS<br/>[FR] NOUVELLE CLASSE D'AGONISTES DU RÉCEPTEUR MU-OPIOÏDE
  申请人：UNIV COLUMBIA

  公开号：WO2015138791A1

  公开（公告）日：2015-09-17

  The present invention provides a compound having the structure (I) or a pharmaceutically acceptable salt or ester thereof.

  本发明提供了一种具有结构（I）的化合物或其药用可接受的盐或酯。
• Discovery of novel cyclin-dependent kinase (CDK) and histone deacetylase (HDAC) dual inhibitors with potent in vitro and in vivo anticancer activity
  作者：Chunhui Cheng、Fan Yun、Sadeeq Ullah、Qipeng Yuan

  DOI：10.1016/j.ejmech.2020.112073

  日期：2020.3

  1-H-pyrazole-3-carboxamide-based inhibitors targeting histone deacetylase (HDAC) and cyclin-dependent kinase (CDK). The representative compounds N-(4-((2-aminophenyl)carbamoyl)benzyl)-4-(2,6-dichlorobenzamido)-1H-pyrazole-3-carboxamide (7c) and N-(4-(2-((2-aminophenyl)amino)-2-oxoethyl)phenyl)-4-(2,6-dichlorobenzamido)-1H-pyrazole-3-carboxamide (14a) with potent antiproliferative activities towards five solid cancer

  在当前的研究中，我们报道了一系列针对组蛋白脱乙酰基酶（HDAC）和细胞周期蛋白依赖性激酶（CDK）的新型基于1-H-吡唑-3-羧酰胺的抑制剂。代表性化合物N-（4-（（（2-氨基苯基）氨基甲酰基）苄基）-4-（2,6-二氯苯甲酰胺基）-1H-吡唑-3-羧酰胺（7c）和N-（4-（2-（（ 2-氨基苯基）氨基）-2-氧代乙基）苯基）-4-（2,6-二氯苯甲酰胺基）-1H-吡唑-3-羧酰胺（14a）对5种固体癌细胞系具有有效的抗增殖活性，显示出优异的抑制活性HDAC2（IC50分别为0.25和0.24 nM）和CDK2（IC50分别为0.30和0.56 nM）。另外，化合物7c和14a显着抑制A375和H460细胞的迁移。进一步的研究表明，化合物7c和14a可以阻止G2 / M期的细胞周期并促进A375，HCT116，H460和Hela细胞，与细胞内活性氧（ROS）水平升高有关。更重要的是，化
• [EN] HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLE À UTILISER EN TANT QU'INHIBITEURS DE SÉPIAPTÉRINE RÉDUCTASE
  申请人：QUARTET MEDICINE INC

  公开号：WO2017059191A1

  公开（公告）日：2017-04-06

  Inhibitors of sepiapterin reductase of formula (I) or (I'), wherein the substituents are defined as in the claims, and uses of sepiapterin reductase inhibitors in analgesia, treatment of acute and chronic pain, anti-inflammation, and immune cell regulation are disclosed.

  式(I)或(I')的色氨酰还原酶抑制剂，其中取代基如权利要求中所定义，以及这些色氨酰还原酶抑制剂在镇痛、治疗急慢性疼痛、抗炎和免疫细胞调节中的用途被公开。
• 6-hydroxy-lower alkylpenem compounds, pharmaceutical preparations that
  申请人：Ciba-Geigy Corporation

  公开号：US04794109A1

  公开（公告）日：1988-12-27

  2-Heterocyclyl-lower alkyl-6-hydroxy-lower alkyl-2-penem compounds of the formula ##STR1## in which R.sub.1 represents lower alkyl substituted by hydroxy or protected hydroxy, R.sub.2 represents carboxy or functionally modified carboxy, R.sub.3 represents an unsaturated monocyclic azaheterocyclyl radical bonded via a tertiary ring nitrogen atom to the radical -A- and A represents a lower alkylene radical, optical isomers of compounds of the formula (I), mixtures of these optical isomers and salts of such compounds of the formula (I) that contain a salt-forming group have antibiotic properties. The novel compounds can be used, for example, in the form of antibiotically active preparations for the treatment of infectious diseases. The novel compounds can be manufactured in a manner known per se.

  2-杂环基-低碳烯基-6-羟基-低碳烯基-2-氧杂环己烯化合物，其分子式为##STR1##，其中R.sub.1表示被羟基或受保护的羟基取代的低碳烯基，R.sub.2表示羧基或功能改性的羧基，R.sub.3表示通过三级环氮原子与-A-基团连接的不饱和单环氮杂环基团，A代表低碳亚烷基，光学异构体化合物分子式(I)，这些光学异构体的混合物，以及含有成盐基团的上述分子式(I)化合物的盐具有抗生素性质。例如，这些新化合物可以用于制备具有抗菌活性的药物，用于治疗感染性疾病。这些新化合物可以用已知的方法制造。
• Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C–N Bond Formation from Nonactivated Aliphatic Carboxylic Acids
  作者：Zhao-Jing Liu、Xi Lu、Guan Wang、Lei Li、Wei-Tao Jiang、Yu-Dong Wang、Bin Xiao、Yao Fu

  DOI：10.1021/jacs.6b05788

  日期：2016.8.3

  Copper-catalyzed directed decarboxylative amination of nonactivated aliphatic carboxylic acids is described. This intramolecular C-N bond formation reaction provides efficient access to the synthesis of pyrrolidine and piperidine derivatives as well as the modification of complex natural products. Moreover, this reaction presents excellent site-selectivity in the C-N bond formation step through the

  描述了铜催化的非活化脂肪族羧酸的定向脱羧胺化。这种分子内 CN 键形成反应为合成吡咯烷和哌啶衍生物以及复杂天然产物的修饰提供了有效途径。此外，该反应通过使用导向基团在 CN 键形成步骤中表现出优异的位点选择性。我们的工作可以被认为是朝着可控自由基脱羧碳-杂原子交叉偶联迈出的一大步。