氮杂丁烷-3-羧酸.盐酸盐 | 102624-96-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 氮杂丁烷-3-羧酸.盐酸盐
• 中文别名: 3-吖啶羧酸盐酸盐；3-吖丁啶羧酸盐酸盐；氮杂环丁烷-3-甲酸盐酸盐
• 英文名称: azetidine-3-carboxylic acid hydrochloride
• 英文别名: Azetidin-1-ium-3-carboxylic acid;chloride；azetidin-1-ium-3-carboxylic acid;chloride
• CAS: 102624-96-4
• 化学式: C₄H₇NO₂*ClH
• 分子量: 137.566
• InChiKey: RNIZUCJGSDJAOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 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: Azetidine-3-carboxylic acid, HCl
Synonyms:

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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: Azetidine-3-carboxylic acid, HCl
CAS number: 102624-96-4

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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.
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: C4H7NO2.ClH
Molecular weight: 137.6

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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：

  氮杂丁烷-3-羧酸.盐酸盐 在 硝酸 、 乙酸酐 作用下， 反应 8.0h， 以65%的产率得到1-硝基-3-吖丁啶羧酸
  参考文献：
  名称：

  Archibald, T.G.; Baum, K.; Garver, L.C., Synthetic Communications, 1990, vol. 20, # 3, p. 407 - 411

  摘要：

  DOI：
• 作为产物：
  描述：

  1-二苯甲基氮杂环丁烷-3-甲酸 生成 氮杂丁烷-3-羧酸.盐酸盐
  参考文献：
  名称：

  ARCHIBALD, T. G.;BAUM, K.;GARVER, L. C., SYNTH. COMMUN., 20,(1990) N, C. 407-411

  摘要：

  DOI：

文献信息

• [EN] SEROTONIN 5-HT2B RECEPTOR INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR 5-HT2B DE LA SÉROTONINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010080357A1

  公开（公告）日：2010-07-15

  Disclosed are Serotonin 5-HT2B receptor inhibitors of the formula I. Also disclosed are methods of making and methods of using these compounds.

  揭示了式I的5-HT2B受体拮抗剂。还公开了制备这些化合物的方法和使用这些化合物的方法。
• SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE
  申请人：Jeske Mario

  公开号：US20090269420A1

  公开（公告）日：2009-10-29

  The present application relates to novel substituted dihydropyrazolone derivatives, processes for their preparation, their use for treatment and/or prophylaxis of diseases and their use for the preparation of medicaments for treatment and/or prophylaxis of diseases, in particular cardiovascular and haematological diseases and kidney diseases, and for promoting wound healing.

  本申请涉及新颖的取代二氢吡唑酮衍生物，其制备方法，它们用于治疗和/或预防疾病的用途，以及用于制备治疗和/或预防疾病的药物，特别是心血管和血液疾病、肾脏疾病以及促进伤口愈合的用途。
• NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：US20200062752A1

  公开（公告）日：2020-02-27

  It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R 1 represents a hydrogen atom, a halogen atom or the like; R 2 represents a hydrogen atom, a halogen atom or the like; R 3 to R 6 each represent a hydrogen atom or the like; R 7 represents a hydrogen atom or the like; R 8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein R a1 and R a2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R 7 and R 8 together represent —N—OR 10 (wherein R 10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R 7 and R 8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R 9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

  本发明旨在提供一种具有高抗肿瘤活性和低毒性对正常细胞的新型化合物。本发明提供一种由以下式(1)表示的吡啶酮羧酸衍生物或其盐，其中R1代表氢原子、卤素原子或类似物；R2代表氢原子、卤素原子或类似物；R3至R6各自代表氢原子或类似物；R7代表氢原子或类似物；R8代表氢原子、卤素原子、以下式(a)（其中Ra1和Ra2各自代表氢原子、羟基、可选择取代的低烷基基团或类似物）或类似物，或者R7和R8一起代表—N—OR10（其中R10代表氢原子、可选择取代的低烷基基团或芳基烷基基团），或者R7和R8与相邻碳原子一起形成可选择取代的4-至6元饱和杂环，或类似物；R9代表氢原子或类似物；X代表氮原子或类似物；Y代表氮原子或类似物。
• Serotonin 5-HT2B Receptor Inhibitors
  申请人：Cogan Derek

  公开号：US20110269742A1

  公开（公告）日：2011-11-03

  Disclosed are Serotonin 5-HT2B receptor inhibitors of the formula I. Also disclosed are methods of making and methods of using these compounds.

  本发明涉及公开了化学式I的血清素5-HT2B受体抑制剂。还公开了制备这些化合物的方法和使用这些化合物的方法。
• ORGANIC COMPOUNDS
  申请人：Dobler Markus Rolf

  公开号：US20120142685A1

  公开（公告）日：2012-06-07

  The present invention provides a compound formula I: (formula I) said compound is inhibitor of selective subset of kinases belonging to the AGC or calmodulin kinase family, such as for example MARK1/2/3, PKD-1/2/3, PKN-1/2, CDK-9, CaMKII, ROCK-I/II, inhibitors of histone deacetylase (HDAC) phosphorylation, or inhibitors of other kinases. Finally, the present invention also provides a pharmaceutical composition.

  本发明提供了一个化合物公式I：（公式I），该化合物是AGC或钙调素激酶家族的选择性亚集的抑制剂，例如MARK1/2/3，PKD-1/2/3，PKN-1/2，CDK-9，CaMKII，ROCK-I/II，组蛋白去乙酰化酶（HDAC）磷酸化抑制剂，或其他激酶的抑制剂。最后，本发明还提供了一种制药组合物。