2-氨基丙酰胺 | 4726-84-5

• 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-氨基丙酰胺
• 中文别名: Alpha-氨基丙酰胺
• 英文名称: alanine amide
• 英文别名: 2-aminopropanamide；DL-alaninamide；D-α-aminopropionamide
• CAS: 4726-84-5
• 化学式: C₃H₈N₂O
• mdl: MFCD07841687
• 分子量: 88.1093
• InChiKey: HQMLIDZJXVVKCW-UHFFFAOYSA-N

物化性质

• 熔点：
  230-231 °C
• 沸点：
  247.4±23.0 °C(Predicted)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3259
• 危险性描述：
  H314
• 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
Product Name: DL-Alaninamide
Synonyms: 2-Aminopropanamide

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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: DL-Alaninamide
CAS number: 4726-84-5

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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: C3H8N2O
Molecular weight: 88.1

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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.

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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

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  D-丙氨酰胺	D-alaninamide	35320-22-0	C3H8N2O	88.1093

反应信息

• 作为反应物：
  描述：

  2-氨基丙酰胺 生成 L-丙氨酸
  参考文献：
  名称：

  Asano, Yasuhisa; Nakazawa, Akiko; Kato, Yasuo, Angewandte Chemie, 1989, vol. 101, # 4, p. 511 - 512

  摘要：

  DOI：
• 作为产物：
  描述：

  丙氨酸乙酯 在 氨 作用下， 生成 2-氨基丙酰胺
  参考文献：
  名称：

  Koenigs; Mylo, Chemische Berichte, 1908, vol. 41, p. 4437

  摘要：

  DOI：
• 作为试剂：
  描述：

  苯基-(3-苯基-1,2,4-三唑-1-基)甲酮 在 水 、 2-氨基丙酰胺 作用下， 以 乙腈 为溶剂， 生成 3-苯基-1H-1,2,4-噻唑 、 苯甲酸
  参考文献：
  名称：

  Remarkably Distinctive Recognition of .alpha.-Alanine and .alpha.-Phenylalanine during the Water-Catalyzed Hydrolysis of an Activated Amide

  摘要：

  The rate of the water-catalyzed hydrolysis of three activated amides in aqueous solution is significantly retarded by small amounts of a-phenylalanine as compared with the rate acceleration induced by other common a-amino acids not containing a benzyl-group in their side chain. These contrasting effects emphasize the large hydrophobicity of a-phenylalanine and are of relevance for a better quantitative understanding of protein folding and molecular recognition processes involving proteins.

  DOI：

  10.1021/j100016a008

文献信息

• Peptide ligation by chemoselective aminonitrile coupling in water
  作者：Pierre Canavelli、Saidul Islam、Matthew W. Powner

  DOI：10.1038/s41586-019-1371-4

  日期：2019.7

  N-to-C peptide ligation. Our model unites prebiotic aminonitrile synthesis and biological α-peptides, suggesting that short N-acyl peptide nitriles were plausible substrates during early evolution.Prebiotic peptide formation is achieved through chemoselective, high-yielding ligation of α-aminonitriles in water, showing selectivity for α-peptide coupling and tolerance of all proteinogenic amino acid residues

  酰胺键的形成是化学和生物学中最重要的反应之一 1-4，但目前还没有化学方法可以在水中实现 α-肽连接，从而耐受肽连接位点的所有 20 种蛋白质氨基酸。通用遗传密码确立了肽的生物学作用早于生命最后一个普遍的共同祖先，并且肽在生命起源中发挥了重要作用5-9。硫在柠檬酸循环、非核糖体肽合成和聚酮化合物生物合成中的重要作用指向在生命进化过程中，硫酯依赖性肽连接先于 RNA 依赖性蛋白质合成 5,9-13。然而，尚未证明氨酰基硫酯形成的稳健机制。在这里，我们报告了一种化学选择性，高产 α-氨基腈连接，仅利用益生元合理的分子——硫化氢、硫代乙酸盐 12,14 和铁氰化物 12,14-17 或氰基乙炔 8,14——在水中产生 α-肽。这种连接对 α-氨基腈偶联具有极高的选择性，并能耐受所有 20 个蛋白质氨基酸残基。两个基本特征使肽能够在水中连接：α-氨基腈的反应性和 pKaH 使它们与中性 pH 值的
• [EN] INHIBITORS OF APOL1 AND USE OF THE SAME<br/>[FR] INHIBITEURS D'APOL1 ET LEUR UTILISATION
  申请人：VERTEX PHARMA

  公开号：WO2021252859A1

  公开（公告）日：2021-12-16

  The disclosure provides at least one compound, deuterated derivative, or pharmaceutically acceptable salt chosen from compounds of formula (I), deuterated derivatives thereof, and pharmaceutically acceptable salts of any of the foregoing, compositions comprising the same, and methods of making and using the same, including use in treating APOL1 mediated kidney disease.

  本公开提供了至少一种化合物、重氢化衍生物或药用可接受的盐，选自公式(I)化合物、其重氢化衍生物以及任何前述物质的药用可接受的盐，包含同一的组成物，以及制造和使用同一的方法，包括用于治疗APOL1介导的肾脏疾病。
• FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS
  申请人：Watterson D. Martin

  公开号：US20090325973A1

  公开（公告）日：2009-12-31

  The invention relates to chemical compounds, compositions and methods of making and using the same. In particular, the invention provides selected pyridazine compounds of the formula I are independently hydrogen, hydroxyl, alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkynyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, sulfate, sulfenyl, sulfinyl, sulfonyl, sulfonate, sulfoxide, silyl, silyloxy, silylalkyl, silylthio, ═O, ═S, phosphonate, ureido, carboxyl, carbonyl, carbamoyl, or carboxamide; and X is optionally substituted pyrimidinyl or pyridazinyl, an isomer, a pharmaceutically acceptable salt, or derivative thereof. The invention additional relates to compositions comprising the compounds, and methods of using the compounds and compositions for modulation of cellular pathways, for treatment or prevention of inflammatory diseases, for research, drug screening, and therapeutic applications.

  该发明涉及化合物、组合物的化学成分以及制备和使用这些化合物的方法。具体而言，该发明提供了符合以下式I的选择性吡啶并化合物： 其中独立地，R1和R2分别是氢、羟基、烷基、烯基、炔基、烷基烯基、烷基炔基、烷基烷基、烯基烷基、烷氧基、烯氧基、环烷基、环烯基、环炔基、环烷氧基、芳基、芳氧基、芳基烷氧基、芳酰基、杂环芳基、杂环、酰基、酰氧基、氨基、亚胺基、叠氮基、硫醇基、硫烷基、硫烷氧基、硫芳基、硝基、氰基、卤素基、硫酸基、硫醚基、亚硫醚基、磺酰基、磺酸盐基、亚砜基、硫代氧基、硅基、硅氧基、硅基烷基、硅基硫基、 ═O、 ═S、膦酸盐基、脲基、羧基、酰基、氨基甲酰基或羧酰胺基；X是可选地取代的嘧啶基或吡啶基，其异构体、药学上可接受的盐或衍生物。该发明还涉及包含这些化合物的组合物，以及利用这些化合物和组合物调节细胞通路、治疗或预防炎症性疾病、研究、药物筛选和治疗应用的方法。
• [EN] WDR5-MYC INHIBITORS<br/>[FR] INHIBITEURS DE WDR5-MYC
  申请人：UNIV VANDERBILT

  公开号：WO2021021951A1

  公开（公告）日：2021-02-04

  Substituted N-phenyl sulfonamide compounds inhibit WDR5-MYC interactions, and the compounds and their pharmaceutical compositions are useful for treating disorders and conditions in a subject, such as cancer cell proliferation.

  取代的N-苯基磺酰胺化合物可以抑制WDR5-MYC相互作用，这些化合物及其药物组合物可用于治疗受试者中的疾病和状况，如癌细胞增殖。
• POTASSIUM CHANNEL MODULATORS
  申请人：Cadent Therapeutics, Inc.

  公开号：US20170355708A1

  公开（公告）日：2017-12-14

  Provided are novel compounds of Formula (I): and pharmaceutically acceptable salts thereof, which are useful for treating a variety of diseases, disorders or conditions, associated with potassium channels. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I), pharmaceutically acceptable salts thereof, and methods for their use in treating one or more diseases, disorders or conditions, associated with potassium channels.

  提供的是公式(I)的新颖化合物： 以及它们的药用可接受盐，这些化合物用于治疗与钾通道相关的一系列疾病、障碍或状况。还提供了包含公式(I)的新颖化合物的药物组合物，它们的药用可接受盐，以及使用它们来治疗与钾通道相关的一种或多种疾病、障碍或状况的方法。