DL-脯氨酰胺盐酸盐 | 115630-49-4

• 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: DL-脯氨酰胺盐酸盐
• 中文别名: (2S)-2-吡咯烷甲酰胺；脯氨酰胺；(2S)-吡咯烷-2-甲酰胺；DL-脯氨酸酰胺
• 英文名称: D,L-prolinamide hydrochloride
• 英文别名: proline amide hydrochloride；prolinamide hydrochloride；2-Carbamoylpyrrolidine hydrochloride；H-DL-proline-NH2 hydrochloride；D,L-proline amide hydrochloride；L-prolineamide hydrochloride；hydron;pyrrolidine-2-carboxamide;chloride
• CAS: 115630-49-4
• 化学式: C₅H₁₀N₂O*ClH
• mdl: MFCD00237860
• 分子量: 150.608
• InChiKey: CSKSDAVTCKIENY-UHFFFAOYSA-N

物化性质

• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Pyrrolidinecarboxamide HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Pyrrolidinecarboxamide HCl
CAS number: 115630-49-4

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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.
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H10N2O.ClH
Molecular weight: 150.6

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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：

  DL-脯氨酰胺盐酸盐 、 异氰酸丙酯 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 1-(propylthiocarbamoyl)pyrrolidine-2-carboxamide
  参考文献：
  名称：

  来自与酰胺相连的尿素和硫脲的多样化氨基乙内酰脲

  摘要：

  无论取代基（烷基或芳基）如何，硫脲或与酰胺相连的脲的分子内环化均以非常高的产率（87-100%）得到 2-亚氨基乙内酰脲和 2-氨基-1H-咪唑-4（5H）-酮。该反应通过作为中间体的碳二亚胺和亚胺离子进行。在用于生成碳二亚胺的试剂中，研究了 CBr4/Ph3P、CCl4/Ph3P、O,O'-双（2'-吡啶基）硫代碳酸酯和 HgO。

  DOI：

  10.1002/ejoc.201200025

文献信息

• Anti-Viral Compounds
  申请人：DeGoey David A.

  公开号：US20100317568A1

  公开（公告）日：2010-12-16

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

  描述了一种有效抑制丙型肝炎病毒（“HCV”）复制的化合物。本发明还涉及制备这种化合物的方法、包含这种化合物的组合物，以及使用这种化合物治疗HCV感染的方法。
• [EN] SUBSTITUTED BENZOTHIENYL - PYRROLOTRIAZINES AND USES THEREOF IN THE TREATMENT CANCER<br/>[FR] BENZOTHIÉNYL - PYRROLOTRIAZINES SUBSTITUÉES ET UTILISATIONS DE CELLES-CI POUR LE TRAITEMENT DU CANCER
  申请人：BAYER IP GMBH

  公开号：WO2013087647A1

  公开（公告）日：2013-06-20

  This invention relates to novel substituted 5-(l-benzothiophen-2-yl)pyrrolo[2,l-fJ[l,2,4]triazin-4-amine derivatives having protein tyrosine kinase inhibitory activities, to processes for the preparation of such compounds, to pharmaceutical compositions containing such compounds, and to the use of such compounds or compositions for treating proliferative disorders, in particular cancer and tumor diseases.

  这项发明涉及新型的取代5-(1-苯并噻吩-2-基)吡咯并[2,1-f][1,2,4]三嗪-4-胺衍生物，具有蛋白酪氨酸激酶抑制活性，以及制备这类化合物的方法，含有这类化合物的药物组合物，以及利用这类化合物或组合物治疗增殖性疾病，特别是癌症和肿瘤疾病。
• [EN] PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLO[2,3-B]PYRIDINE CDK9 KINASE
  申请人：ABBVIE INC

  公开号：WO2014139328A1

  公开（公告）日：2014-09-18

  Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa).

  公开的是Formula (IIa)的化合物，其中R1、R2、R3A、R3B、R3C、R3D、R3E和R4如规范中所定义，并且其药用盐。这些化合物可用作治疗疾病，包括癌症的药物。还提供了包含一个或多个Formula (IIa)化合物的药物组合物。
• Glycolamide Esters as Biolabile Prodrugs of Carboxylic Acid Agents: Synthesis, Stability, Bioconversion, and Physicochemical Properties
  作者：Niels Mørk Nielsenw、Hans Bundgaard

  DOI：10.1002/jps.2600770402

  日期：1988.4

  be a useful biolabile prodrug type for several carboxylic acid agents. The esters combine a high susceptibility to undergo enzymatic hydrolysis in plasma with a high stability in aqueous solution. Furthermore, as demonstrated with the benzoic acid model esters, it is feasible to obtain ester derivatives with almost any desired water solubility or lipophilicity with retainment of marked lability to enzymatic

  发现各种取代的2-羟基乙酰胺（苯甲酰胺）的苯甲酸酯在人血浆溶液中极快地水解，对于某些N，N-二取代的乙酰胺酯，在50％的血浆溶液中水解的半衰期少于5 s。迅速的水解速度可以很大程度上归因于血浆中存在的胆碱酯酶（也称为伪胆碱酯酶）。通过对各种取代的乙醇酰胺酯和与结构相关的酯的研究，发现快速水解所需的最突出的结构要求是乙醇酰胺酯结构与酰胺氮原子上两个取代基的结合。提出了这类酯与胆碱酯酶的良好底物苯甲酰胆碱的结构相似性。N的酯 N-二取代的乙醇酰胺被认为是对几种羧酸试剂有用的生物不稳定的前药类型。这些酯结合了高敏感性在血浆中进行酶水解，在水溶液中具有高稳定性。此外，如用苯甲酸模型酯所证明的，获得具有几乎任何所需的水溶性或亲脂性并保留对酶水解的显着不稳定性的酯衍生物是可行的。
• ＢＥＴ蛋白質分解誘導作用を有するアミド化合物及びその医薬としての用途
  申请人：田辺三菱製薬株式会社

  公开号：WO2020009176A1

  公开（公告）日：2020-01-09

  がん細胞に対する細胞傷害作用、がん細胞におけるＢＥＴ蛋白質の分解を誘導する作用、およびＢＥＴ蛋白質とアセチル化ヒストンとの結合阻害作用に優れ、抗がん剤、ＢＥＴ蛋白質の分解誘導剤及びＢＥＴ蛋白質阻害剤として有用な化合物を提供すること。下記一般式（Ｉ）で表される化合物又はその薬理学的に許容される塩。｛式中、各記号は明細書中で定義した通りである。｝

  对癌细胞具有细胞损伤作用，诱导癌细胞中BET蛋白质的降解作用，以及优越的BET蛋白质与乙酰化组蛋白结合抑制作用，提供作为抗癌药物、BET蛋白质降解诱导剂和BET蛋白质抑制剂有用的化合物。该化合物或其药理学上可接受的盐由下述通用式（I）表示。式中，各符号如在说明书中定义。}