4-氨基-六氢环戊基并[C]吡咯-2-甲酸叔丁酯 | 1187930-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 4-氨基-六氢环戊基并[C]吡咯-2-甲酸叔丁酯
• 英文名称: tert-butyl 4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
• 英文别名: 4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
• CAS: 1187930-92-2
• 化学式: C₁₂H₂₂N₂O₂
• mdl: MFCD06658364
• 分子量: 226.319
• InChiKey: VMUXGMBHACBHJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  313.2±25.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
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: 4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
CAS number: 1187930-92-2

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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, refrigerated.
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: C12H22N2O2
Molecular weight: 226.3

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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

反应信息

• 作为反应物：
  描述：

  4-氨基-六氢环戊基并[C]吡咯-2-甲酸叔丁酯 在 盐酸 、 methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II) 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 叔丁醇 为溶剂， 反应 23.33h， 生成 N-(6-(1,4-dimethyl-1H-pyrazol-5-yl)pyridazin-3-yl)octahydrocyclopenta[c]pyrrol-4-amine hydrochloride
  参考文献：
  名称：

  [EN] ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4
  [FR] ANTAGONISTES DU RÉCEPTEUR MUSCARINIQUE M4 À L'ACÉTYLCHOLINE

  摘要：

  公开号：

  WO2019089676A8
• 作为产物：
  描述：

  4-叔丁基-4-氧代环戊[C]吡咯-2-（1氢）-羧酸 在 palladium on activated charcoal 、 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 36.0h， 生成 4-氨基-六氢环戊基并[C]吡咯-2-甲酸叔丁酯
  参考文献：
  名称：

  [EN] ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4
  [FR] ANTAGONISTES DU RÉCEPTEUR MUSCARINIQUE M4 À L'ACÉTYLCHOLINE

  摘要：

  公开号：

  WO2019089676A8

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE<br/>[FR] COMPOSÉS ANTIBACTÉRIENS ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：PTC THERAPEUTICS INC

  公开号：WO2013033228A1

  公开（公告）日：2013-03-07

  The present description relates to compounds and forms and pharmaceutical compositions thereof and methods for use thereof to treat or ameliorate bacterial infections caused by wild-type and multi-drug resistant Gram-negative and Gram-positive pathogens. The present description further relates to a compound having activity toward wild-type and MDR bacteria. The present description also relates to a compound having activity against quinolone-resistant Gram-negative strains (including MDR strains) as well as antibacterial activity to MDR resistant Gram-positive pathogens (including MRSA strains).

  本描述涉及化合物、形式、以及其制药组合物，以及治疗或改善由野生型和多药耐药革兰氏阴性和革兰氏阳性病原体引起的细菌感染的方法。本描述还涉及一种对野生型和MDR细菌具有活性的化合物。本描述还涉及一种对喹诺酮耐药革兰氏阴性菌株（包括MDR菌株）具有活性以及对MDR耐药革兰氏阳性病原体（包括MRSA菌株）具有抗菌活性的化合物。
• ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190194216A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of Formula (I), and pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.

  本发明提供了式（I）的化合物及其药用盐，以及包含这些化合物的药物组合物，以及使用这些化合物预防或治疗FXR介导或TGR5介导的疾病或症状的方法。
• [EN] 3.3.0 BICYCLIC GLYT1 INHIBITORS AND METHODS OF MAKING AND USING SAME<br/>[FR] INHIBITEURS BICYCLIQUES DU GLYT1 ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：VANDERBILT UNIVERSTIY

  公开号：WO2010068851A1

  公开（公告）日：2010-06-17

  In one aspect, the invention relates to compounds which are useful as inhibitors of glycine type 1 transporter (GIyT1) activity; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders associated with glycine type 1 transporter (GIyT1) activity using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及一种可用作甘氨酸1型转运体（GIyT1）活性抑制剂的化合物；合成制备该化合物的方法；包含该化合物的制药组合物；以及使用该化合物和组合物治疗与甘氨酸1型转运体（GIyT1）活性相关的疾病的方法。本摘要旨在作为搜索特定领域的扫描工具，不限制本发明。
• ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE
  申请人：PTC THERAPEUTICS, INC.

  公开号：US20150038438A1

  公开（公告）日：2015-02-05

  The present description relates to compounds and forms and pharmaceutical compositions thereof and methods for use thereof to treat or ameliorate bacterial infections caused by wild-type and multi-drug resistant Gram-negative and Gram-positive pathogens.

  本说明涉及化合物及其形式，以及制药组合物和使用方法，用于治疗或改善由野生型和多重耐药革兰氏阴性和革兰氏阳性病原体引起的细菌感染。
• [EN] PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRAZINE UTILISÉS EN TANT QU'INHIBITEURS DE BTK
  申请人：BIOGEN MA INC

  公开号：WO2022104079A1

  公开（公告）日：2022-05-19

  Provided are compounds of Formula (I'): or pharmaceutically acceptable salts thereof, wherein the variables in the formula are as defined herein; and methods for their use and production.

  提供了公式（I'）的化合物或其药学上可接受的盐，其中公式中的变量如此处定义；以及它们的使用和生产方法。