N-1-Boc-N-4-Cbz-2-哌嗪甲酸 | 149057-19-2

• 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 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-1-Boc-N-4-Cbz-2-哌嗪甲酸
• 中文别名: 4-(苄氧羰基)-1-(叔丁氧羰基)哌嗪-2-羧酸；1-Boc-4-Cbz-2-甲酸哌嗪；1-BOC-4-CBZ-2-甲酸哌嗪
• 英文名称: 4-((benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid
• 英文别名: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
• CAS: 149057-19-2
• 化学式: C₁₈H₂₄N₂O₆
• 分子量: 364.398
• InChiKey: SREPAMKILVVDSP-UHFFFAOYSA-N

物化性质

• 沸点：
  518.9±50.0 °C(Predicted)
• 密度：
  1.272

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Cbz-1-Boc-Piperazine-2-carboxylic acid
Synonyms: 4-[(benzyloxy)carbonyl]-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid

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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-Cbz-1-Boc-Piperazine-2-carboxylic acid
CAS number: 149057-19-2

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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: C18H24N2O6
Molecular weight: 364.4

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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：

  N-1-Boc-N-4-Cbz-2-哌嗪甲酸 在 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 9.0h， 生成 N-1-Boc-2-哌嗪甲酸甲酯
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS
  [FR] COMPOSÉS PYRAZOLE SUBSTITUÉS À UTILISER EN TANT QU'INHIBITEURS DE SÉRINE PROTÉASE

  摘要：

  提供了一些多取代芳香族化合物，其中包括取代吡唑基，用于抑制凝血酶和/或激肽释放酶。此外，还提供了药物组合物。此外，还提供了一种治疗和预防某些疾病或疾病的方法，这些疾病或疾病可以通过抑制凝血酶和/或激肽释放酶进行治疗或预防。

  公开号：

  WO2016138532A1
• 作为产物：
  描述：

  4-O-benzyl 1-O-tert-butyl 2-O-ethyl piperazine-1,2,4-tricarboxylate 在 甲醇 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 N-1-Boc-N-4-Cbz-2-哌嗪甲酸
  参考文献：
  名称：

  SAR studies on a series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides: Potent inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus

  摘要：

  Described herein is the initial optimization of (+/-) N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamide (1), a hit discovered in a high throughput screen run against the NS5B polymerase enzyme of the hepatitis C virus. This effort resulted in the identification of (S)-N-sec-butyl-6-((R)-3-(4-(trifluoromethoxy) benzylcarbamoyl)-4-(4-(trifluoromethoxy) phenylsulfonyl)piperazin-1-yl)pyridazine-3-carboxamide (2), that displayed potent replicon activities against HCV genotypes 1b and 1a (EC50 1b/1a = 7/89 nM). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.008

文献信息

• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：Bischoff Alexander

  公开号：US20100160323A1

  公开（公告）日：2010-06-24

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A去饱和酶抑制剂的哌嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION
  申请人：Janssen Pharmaceutica NV

  公开号：US20200055874A1

  公开（公告）日：2020-02-20

  Sultam compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with the KEAP1-Nrf2 interaction, such as inflammatory bowel disease, including Crohn's disease and ulcerative colitis.

  Sultam化合物，含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗与KEAP1-Nrf2相互作用相关的疾病状态、疾病和病况的方法，如炎症性肠病，包括克罗恩病和溃疡性结肠炎。
• Efflux pump inhibitors
  申请人：Microcide Pharmaceuticals, Inc.

  公开号：US06399629B1

  公开（公告）日：2002-06-04

  Compounds are described which have efflux pump inhibitor activity. Also described are methods of using such efflux pump inhibitor compounds and pharmaceutical compositions which include such compounds.

  描述了具有外流泵抑制剂活性的化合物。还描述了使用这种外流泵抑制剂化合物的方法以及包括这种化合物的药物组合物。
• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION<br/>[FR] COMPOSÉS UTILISÉS POUR TRAITER UNE INFECTION CINÉTOPLASTIDE
  申请人：IRBM SCIENCE PARK S P A

  公开号：WO2018115275A1

  公开（公告）日：2018-06-28

  The present invention relates to a class of novel heterocyclic compounds, to pharmaceutical compositions comprising the compounds and their use in the treatment of kinetoplastid infections.

  本发明涉及一类新颖的杂环化合物，以及包含这些化合物的药物组合物及其在治疗运动毛虫感染中的用途。
• PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20180127370A1

  公开（公告）日：2018-05-10

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。