(S)-吡咯烷-2-羧酸乙酯盐酸盐 | 33305-75-8

• 物质功能分类: 有机原料 - 杂环化合物
• 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: (S)-吡咯烷-2-羧酸乙酯盐酸盐
• 英文名称: L-proline ethyl ester monohydrochloride
• 英文别名: L-proline ethyl ester hydrochloride；proline ethyl ester hydrochloride；(S)-proline ethyl ester hydrochloride；(S)-ethyl pyrrolidine-2-carboxylate hydrochloride；ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
• CAS: 33305-75-8
• 化学式: C₇H₁₃NO₂*ClH
• mdl: MFCD00191004
• 分子量: 179.647
• InChiKey: DUJGQVVONTYHLT-RGMNGODLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352,P304+P340+P312,P305+P351+P338+P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H302,H315,H318,H335
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-Pro-OEt HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
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: H-Pro-OEt HCl
CAS number: 33305-75-8

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H13NO2.ClH
Molecular weight: 179.6

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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：

  (S)-吡咯烷-2-羧酸乙酯盐酸盐 在 ammonium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以65%的产率得到(2S)-吡咯烷-2-羧酸乙酯
  参考文献：
  名称：

  α-氨基酸和α-氨基酸酯与高价过渡金属卤化物的反应：配位化合物的合成，活化过程和α-酰氯铵阳离子的稳定性†

  摘要：

  四氯化钛与CH 2 Cl 2中的某些α-氨基酸（aaH）平稳反应，得到黄色至橙色的固体配位化合物1a–d，产率为70–78％。盐[NHEt 3 ] [TiCl 4（aa）]，2a–b是从TiCl 4 / aaH / NEt 3（aa = L-苯丙氨酸，N，N-二甲基苯丙氨酸）获得的，收率为60-65％。复杂的，3，从反应中分离大号脯氨酸用NbCl 5 / NH我镨2，在CH进行在室温下2 Cl 2。的X射线结构3设有一桥接（ ê）-1,2-双（3,4-二氢-2- ħ吡咯-5-基）乙烯-1,2-苯二酚根合配位体，从前所未有C-所得两个脯氨酸单元之间的C偶联。通过PCl 5 / MCl n（MCl n = NbCl 5，WCl 6）与L-脯氨酸， N， N -N-二甲基苯丙氨酸，肌氨酸和L-甲硫氨酸反应制备异常稳定的α-铵酰氯。MX 5（M = Nb，Ta; X = F，Cl）与L反应-亮氨酸

  DOI：

  10.1039/c7ra00073a
• 作为产物：
  描述：

  (S)-1-tert-butyl 2-ethylpyrrolidine-1,2-dicarboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 1.08h， 生成 (S)-吡咯烷-2-羧酸乙酯盐酸盐
  参考文献：
  名称：

  [EN] ANTIVIRAL COMPOUNDS
  [FR] COMPOSÉS ANTIVIRAUX

  摘要：

  本公开提供了用于治疗各种疾病的化合物，如呼吸道合胞病毒（RSV）、人 rhinovirus（HRV）、人类副流感病毒（hMPV）、埃博拉病毒、寨卡病毒、西尼罗河病毒、登革热病毒和丙型肝炎病毒（HCV）。

  公开号：

  WO2021167882A1

文献信息

• Pyrrole compounds as granzyme B inhibitors
  申请人：viDA Therapeutics Inc.

  公开号：US09458138B1

  公开（公告）日：2016-10-04

  Pyrrole compounds as Granzyme B inhibitors, compositions that include the compounds, and methods for using the compounds. Method for treating cutaneous scleroderma, epidermolysis bullosa, radiation dermatitis, alopecia areata, and discoid lupus erythematosus are provided.

  吡咯化合物作为粒酶B抑制剂，包括这些化合物的组合物以及使用这些化合物的方法。提供了一种治疗皮肤硬化病、大疱性表皮松解症、放射性皮炎、斑秃和蝶形红斑狼疮的方法。
• NOVEL COMPOUNDS AND METHODS FOR THERAPY
  申请人：Birkus Gabriel

  公开号：US20090232768A1

  公开（公告）日：2009-09-17

  Novel compounds having structure (1) wherein Z, Y, R 1 , R 2′ and R 2 are defined in the specification, are provided for use in the treatment of tumors and the prophylaxis or treatment of viral infections.

  具有结构（1）的新化合物 其中Z、Y、R1、R2'和R2在说明书中定义，用于治疗肿瘤和预防或治疗病毒感染。
• Synthesis and anticancer activities of novel (tetrahydrobenzo [4,5] thieno [2,3-d] pyrimidine-4-yl)-pyrolidine-2-carboxylic acid derivatives
  作者：Laxmikant S. Pavase、Dhananjay V. Mane

  DOI：10.1007/s00044-016-1692-x

  日期：2016.10

  has been introduced in recent years is directed against cancer-specific molecules and signaling pathways with some side effects Therefore, we studied these class of molecules to obtain new candidates of remarkable activities and minimal side effects. We herein reported SAR driven synthesis of 16 novel molecules and their anticancer profiles in specifically targeted human Breast cell line MCF-7 and

  在过去的几十年中，癌症化学疗法已成为医学上的主要进步之一。与治疗有关的药物具有狭窄的治疗指数，通常所产生的反应只是姑息性的并且是不可预测的。相反，近年来引入的靶向治疗（例如酪氨酸激酶抑制剂）针对具有某些副作用的癌症特异性分子和信号通路。因此，我们研究了此类分子，以获得具有显着活性和最小副作用的新型候选药物效果。我们在特定靶向的人乳腺癌细胞系MCF-7和人结肠癌细胞系HCT-15中纳入了由SAR驱动的16个新分子的合成及其抗癌概况。化合物7e和8f与多柔比星（GI 50  <0.1）相比，人乳腺癌细胞系MCF-7具有下降的抗肿瘤活性。通过光谱和元素分析确保合成的类似物。
• USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION
  申请人：ACCENDATECH

  公开号：US20160367525A1

  公开（公告）日：2016-12-22

  The present invention relates to the uses of sesquiterpene lactone compounds and their derivatives in preparing drugs. It belongs to the field of drug technology, specifically relates to the uses of the compounds of Formula (I) in preparing the drugs, especially the uses in preparing the drugs to treat rheumatoid arthritis and treat cancers through inhibiting cancer stem cells.

  本发明涉及倍半萜内酯化合物及其衍生物在制备药物中的用途。它属于药物技术领域，具体涉及在制备药物中使用式(I)化合物，特别是在制备用于治疗类风湿关节炎和通过抑制癌干细胞治疗癌症的药物中的用途。
• 倍半萜内酯类化合物及其衍生物在制备药物中 的用途
  申请人：天津尚德药缘科技股份有限公司

  公开号：CN103417532B

  公开（公告）日：2016-06-01

  本发明涉及倍半萜内酯类化合物及其衍生物在制备药物中的用途，属于药物技术领域，具体涉及式(I)化合物在制备药物中的用途，特别是在制备治疗类风湿性关节炎、通过抑制癌症干细胞用于治疗癌症的药物中的用途。