N-芴甲氧羰基-(2S,5R)-5-苯基吡咯烷-2-羧酸 | 215190-21-9

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: N-芴甲氧羰基-(2S,5R)-5-苯基吡咯烷-2-羧酸
• 英文名称: (2S,5R)-5-phenyl-pyrrolidine-1,2-dicarboxylic acid 1-(9H-fluoren-9-ylmethyl) ester
• 英文别名: (2S,5R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid；(2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid
• CAS: 215190-21-9
• 化学式: C₂₆H₂₃NO₄
• 分子量: 413.473
• InChiKey: JEEBFSSXASHKSF-RPWUZVMVSA-N

物化性质

• 熔点：
  164-166°C
• 沸点：
  626.3±55.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（轻微）、二氯甲烷（轻微）、DMSO（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  29339900
• 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: Fmoc-(2s,5r)-5-phenyl-pyrrolidine-2-carboxylic acid
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: Fmoc-(2s,5r)-5-phenyl-pyrrolidine-2-carboxylic acid
CAS number: 215190-21-9

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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: C26H23NO4
Molecular weight: 413.5

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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-芴甲氧羰基-(2S,5R)-5-苯基吡咯烷-2-羧酸 、 (R)-(-)-1,2,3,4-四氢-1-萘胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 N-甲基吗啉 、 N-甲基吡咯烷酮 为溶剂， 反应 5.0h， 以95%的产率得到2-phenyl-5-(1,2,3,4-tetrahydro-naphthalen-1-ylcarbamoyl)-pyrrolidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  [EN] TETRAPEPTIDE ANALOGS
  [FR] ANALOGUES DE TETRAPEPTIDE

  摘要：

  公开号：

  WO2006017295A3

文献信息

• Identification of Compounds Modifying A Cellular Response
  申请人：Thastrup Ole

  公开号：US20090239755A1

  公开（公告）日：2009-09-24

  The present invention relates to methods for identifying compounds capable of modulating a cellular response. The methods involve attaching living cells to solid supports comprising a library of test compounds. The test compounds are linked to the solid support via cleavable linkers and may thus be released from the solid supports. Solid supports comprising cells, wherein the cellular response of interest has been modulated are selected and the test compound of the solid support can then be identified. The cellular response may for example be changes in complex formation between proteins.

  本发明涉及识别能够调节细胞反应的化合物的方法。该方法涉及将活细胞附着在包含测试化合物库的固体支撑体上。测试化合物通过可切割的连接剂与固体支撑体连接，因此可以从固体支撑体释放出来。选择细胞被固体支撑体调节了感兴趣的细胞反应的固体支撑体，并且可以鉴定固体支撑体上的测试化合物。细胞反应可以是蛋白质复合物形成的变化，例如。
• Compounds Modifying Apoptosis
  申请人：Thastrup Ole

  公开号：US20080194537A1

  公开（公告）日：2008-08-14

  The present invention relates to compounds capable of inhibiting binding of the Smac protein to Inhibitors of apoptosis (IAPs). Such compounds are preferably capable of inhibiting IAP and thus may promote apoptosis or sensitize cells for apoptosis. The compounds may be used in the treatment of proliferative diseases, such as cancer.

  本发明涉及一种能够抑制Smac蛋白与凋亡抑制剂（IAPs）结合的化合物。这些化合物最好能够抑制IAP，从而可能促进细胞凋亡或增加细胞对凋亡的敏感性。这些化合物可用于治疗增生性疾病，如癌症。
• Tetrapeptide analogs
  申请人：Chao Bin

  公开号：US20100190688A1

  公开（公告）日：2010-07-29

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided.

  提供了用于治疗过度增殖性疾病，如癌症的化合物、组合物和方法。
• IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE
  申请人：Thastrup Ole

  公开号：US20130123140A1

  公开（公告）日：2013-05-16

  The present invention relates to methods for identifying compounds capable of modulating a cellular response. The methods involve attaching living cells to solid supports comprising a library of test compounds. The test compounds are linked to the solid support via cleavable linkers and may thus be released from the solid supports. Solid supports comprising cells, wherein the cellular response of interest has been modulated are selected and the test compound of the solid support can then be identified. The cellular response may for example be changes in complex formation between proteins.

  本发明涉及识别能够调节细胞响应的化合物的方法。该方法包括将活细胞附着在包含一系列测试化合物的固体支持物上。测试化合物通过可切断的连接物与固体支持物相连，因此可以从固体支持物中释放出来。选择细胞响应已被调节的固体支持物，并可以鉴定固体支持物中的测试化合物。例如，细胞响应可以是蛋白质之间复合物形成的变化。
• Tripeptides as caspase modulators
  申请人：Idun Pharmaceuticals, Inc.

  公开号：EP2457896A1

  公开（公告）日：2012-05-30

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided. or a pharmaceutically acceptable derivative thereof, where: M is CO, SO or SO2; R1sand R2s are selected as follows: (i) R1s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyI; and R2s is selected from hydrogen, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl, heterocyclyl, OR11 and NR15R16, or (ii) R 1sand R2s together with the nitrogen atom on which they are substituted form a heterocyclic or heteroaryl ring; R3s, R4s and R5s are each independently selected from (i) or (ii) as follows: (i) R3s is hydrogen or alkyl; R4s is alkyl; and R5s is selected from hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, heteroarylium, cycloalkyl, heterocyclyl and NR15R16; (ii )R5s and R3s or R5s and R4s together with the atoms on which they are substituted form heterocyclic or heteroaryl ring and the other of R3s or R4s is selected as (ii); R6s is hydrogen, lower alkyl, lower alkenyl or lower alkynyl; R7s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyl. The other variables are as defined in the claims.

  本研究提供了用于治疗过度增殖性疾病（如癌症）的化合物、组合物和方法。 或其药学上可接受的衍生物、 其中 M 是 CO、SO 或 SO2； R1s 和 R2s 选取如下： (i) R1s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基；R2s 选自氢、烯基、炔基、芳基、杂芳基、环烷基、杂环烷基、 OR11 和 NR15R16，或 (ii) R 1s 和 R2s 与它们被取代的氮原子一起形成杂环或杂芳基环； R3s、R4s 和 R5s 各自独立地选自如下的 (i) 或 (ii)： (i) R3s 是氢或烷基；R4s 是烷基；R5s 选自氢、烷基、烯基、炔基、芳基、杂芳基、杂芳脲基、环烷基、杂环烷基和 NR15R16； (ii)R5s 和 R3s 或 R5s 和 R4s 与它们被取代的原子一起形成杂环或杂芳基环，且 R3s 或 R4s 中的另一个选为(ii)； R6s 是氢、低级烷基、低级烯基或低级炔基； R7s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基。 其他变量如权利要求中所定义。