顺式-4-羟基-L-脯氨酸盐酸盐 | 441067-49-8

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 脯氨酸类衍生物
• 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: 顺式-4-羟基-L-脯氨酸盐酸盐
• 中文别名: 4-羟基-L-脯氨酸盐酸盐；(4S)-4-羟基-L-脯氨酸盐酸盐
• 英文名称: (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride
• 英文别名: (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
• CAS: 441067-49-8
• 化学式: C₅H₉NO₃*ClH
• 分子量: 167.592
• InChiKey: YEJFFQAGTXBSTI-MMALYQPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.78
• 重原子数：
  10
• 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：
  69.6
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: cis-4-Hydroxy-L-proline, HCl
Synonyms: (2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride

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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: cis-4-Hydroxy-L-proline, HCl
CAS number: 441067-49-8

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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.

---

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: C5H10ClNO3
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：

  顺式-4-羟基-L-脯氨酸盐酸盐 在 三乙胺 、 乙酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 N-Boc-顺式-4-羟基-L-脯氨酸甲酯
  参考文献：
  名称：

  2-甲酰基吡咯生物碱异call素I的全合成和立体化学修饰

  摘要：

  报道了2-甲酰基吡咯生物碱半callisamine I的第一个全合成。收敛合成的特征在于衍生自顺式-4-羟基-1-脯氨酸的复杂胺与二氢吡喃酮的关键美拉德式缩合反应，以直接提供2-甲酰基吡咯环系统。基于获得的合成化合物的旋光度数据，对半水芹胺I的绝对构型进行了修改。

  DOI：

  10.1021/acs.jnatprod.7b00314

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT ET DE PRÉVENTION DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：ALZHEON INC

  公开号：WO2017027582A1

  公开（公告）日：2017-02-16

  Compounds, pharmaceutical compositions, methods and kits are described for treating or preventing neurodegenerative diseases such as Alzheimer's disease.

  描述了用于治疗或预防阿尔茨海默病等神经退行性疾病的化合物、药物组合物、方法和试剂盒。
• 作为欧若拉激酶抑制剂的衍生物
  申请人：广东东阳光药业有限公司

  公开号：CN104211692B

  公开（公告）日：2019-05-24

  本发明涉及用于抑制欧若拉激酶的如式(I)或式(Ia)所示的取代吡唑类衍生物，或其立体异构体，几何异构体，互变异构体，氮氧化物，水合物，溶剂化物，代谢产物，酯，药学上可接受的盐或它的前药，和含有这些化合物作为活性成分的药物组合物，以及所述化合物及其药物组合物来制备用于防护，处理，治疗或减轻患者增殖性疾病的药物的用途。
• [EN] DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS DIHYDROPYRIMIDINE ET UTILISATIONS DE CEUX-CI EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2019076310A1

  公开（公告）日：2019-04-25

  Provided herein are a dihydropyrimidine compound and use as a medicament, especially application as a medicament used for treating and preventing hepatitis B. Specifically, provided herein is a compound having Formula (I) or (Ia), or a stereisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is use of the compound having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof as a medicament, especially use as a medicament for treating and preventing hepatitis B.

  本文提供了一种二氢嘧啶化合物及其作为药物的用途，特别是作为用于治疗和预防乙型肝炎的药物的应用。具体而言，本文提供了具有化学式（I）或（Ia）的化合物，或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药，其中化学式的变量如规范中所定义。本文还提供了使用具有化学式（I）或（Ia）的化合物，或其对映体、二对映异构体、互变异构体、水合物、溶剂合物或其药学上可接受的盐作为药物的用途，特别是用作治疗和预防乙型肝炎的药物。
• 二氢嘧啶类化合物及其在药物中的应用
  申请人：广东东阳光药业有限公司

  公开号：CN109678859B

  公开（公告）日：2020-12-29

  本发明涉及一种二氢嘧啶类化合物及其作为药物的用途，尤其是作为治疗和预防乙型肝炎的药物的应用。具体地说，本发明涉及通式(I)或(Ia)所示的化合物或其立体异构体、互变异构体、氮氧化物、溶剂化物、代谢产物、药学上可接受的盐或它的前药，其中各变量如说明书所定义。本发明还涉及通式(I)或(Ia)所示的化合物或其对映异构体、非对映异构体、互变异构体、水合物、溶剂化物或药学上可接受的盐作为药物的用途，尤其是作为治疗和预防乙型肝炎的药物的用途。
• [EN] TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS D'HISTONE MÉTHYLTRANSFÉRASES
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2019036377A1

  公开（公告）日：2019-02-21

  The present disclosure provides certain tricyclic compounds that are histone methyltransferases G9a and/or GLP inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of G9a and/or GLP such as cancers and hemoglobinopathies (e.g., beta-thalassemia and sickle cell disease). Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本公开提供了某些三环化合物，它们是组蛋白甲基转移酶G9a和/或GLP抑制剂，因此可用于治疗通过抑制G9a和/或GLP可治疗的疾病，如癌症和血红蛋白病（例如β地中海贫血和镰状细胞病）。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。