N-[trans-4-(aminomethyl)cyclohexyl](phenylmethoxy)carboxamide | 177582-74-0

• 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
• 英文名称: N-[trans-4-(aminomethyl)cyclohexyl](phenylmethoxy)carboxamide
• 英文别名: benzyl 4-(aminomethyl)cyclohexylcarbamate；Benzyl trans-4-aminomethylcyclohexylcarbamate；benzyl N-[4-(aminomethyl)cyclohexyl]carbamate
• CAS: 177582-74-0
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: AJYOPGOCTHCBTL-UHFFFAOYSA-N

物化性质

• 沸点：
  426.5±24.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Benzyl trans-4-aminomethylcyclohexylcarbamate
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: Benzyl trans-4-aminomethylcyclohexylcarbamate
CAS number: 177582-74-0

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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: C15H22N2O2
Molecular weight: 262.4

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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-[trans-4-(aminomethyl)cyclohexyl](phenylmethoxy)carboxamide 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  发现和SAR的有效，口服和脑可穿透的5,6-dihydro-4H-3-thia-1-氮杂-苯并[e] azulen和4,5-dihydro-6-oxa-3-thia-1 -氮杂-苯并[e] azulen衍生物作为神经肽Y Y5受体拮抗剂。

  摘要：

  一种有效的Y5拮抗剂（2）的结构元素与表现出弱Y5亲和力的噻唑片段的结合，然后进行前导优化，导致发现（5,6-dihydro-4H-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl-amino和（4,5-dihydro-6-oxa-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl -氨基衍生物。这两类化合物均能够递送有效的和选择性的口服和中央生物利用的NPY Y5受体拮抗剂。

  DOI：

  10.1016/j.bmcl.2004.03.014
• 作为产物：
  描述：

  氨甲酸,[4-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]环己基]-,苯基甲基酯 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 以100%的产率得到N-[trans-4-(aminomethyl)cyclohexyl](phenylmethoxy)carboxamide
  参考文献：
  名称：

  Alkyl sulfonamide derivatives

  摘要：

  这项发明涉及烷基磺胺基衍生物，其为NPY Y5受体的配体。该发明提供了一种包含该发明化合物的治疗有效量和药学上可接受的载体的药物组合物。该发明还提供了一种通过混合该发明化合物的治疗有效量和药学上可接受的载体制备的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合该发明化合物的治疗有效量和药学上可接受的载体。该发明还提供了一种治疗患有抑郁症的受试者的方法，包括向受试者施用该发明化合物的量。该发明还提供了一种治疗患有焦虑症的受试者的方法，包括向受试者施用该发明化合物的量。该发明还提供了一种治疗患有肥胖症的受试者的方法，包括向受试者施用该发明化合物的量。

  公开号：

  US20060293341A1

文献信息

• Heterocyclic Compounds
  申请人：Yen Chi-Feng

  公开号：US20090264339A1

  公开（公告）日：2009-10-22

  This invention relates to heterocyclic compounds of the formulas shown in the specification. It also relates to methods for treating inflammatory diseases or immune diseases, developmental or degenerative diseases, and tissue injuries with one of the heterocyclic compounds.

  这项发明涉及规范中所示的异环化合物。它还涉及使用其中一种异环化合物治疗炎症性疾病或免疫性疾病、发育性或退行性疾病以及组织损伤的方法。
• PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS
  申请人：AFRAXIS, INC.

  公开号：US20130116263A1

  公开（公告）日：2013-05-09

  Provided herein are PAK inhibitors and methods of utilizing PAK inhibitors for the treatment of cell proliferative disorders and/or CNS disorders.

  本文提供了PAK抑制剂以及利用PAK抑制剂治疗细胞增殖性疾病和/或中枢神经系统疾病的方法。
• [EN] QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME<br/>[FR] DÉRIVÉS DE QUINOLINE ET INHIBITEURS DE MELK LES CONTENANT
  申请人：ONCOTHERAPY SCIENCE INC

  公开号：WO2012016082A1

  公开（公告）日：2012-02-02

  The present invention directs a compound represented by formula (I).

  本发明涉及一种由化学式（I）表示的化合物。
• MACROCYCLIC PYRIMIDINE DERIVATIVES
  申请人：Liu Huaqing

  公开号：US20090253678A1

  公开（公告）日：2009-10-08

  Macrocyclic pyrimidine compounds, compositions comprising such compounds, methods for making the compounds, and methods of treating and preventing the progression of diseases, conditions, and disorders using such compounds and compositions are described herein.

  本文描述了大环嘧啶化合物、包含此类化合物的组合物、制备此类化合物的方法以及使用此类化合物和组合物治疗和预防疾病、病症和障碍的方法。
• LYOPHILIZATION FORMULATION
  申请人：Yen Chi-Feng

  公开号：US20100120719A1

  公开（公告）日：2010-05-13

  This invention relates to a pharmaceutical kit containing a lyophilized preparation of a pyrimidine compound described in the specification. Also disclosed is a lyophilization process for making this preparation.

  这项发明涉及一种药物工具包，其中包含本说明书中描述的嘧啶化合物的冻干制剂。还公开了制备该制剂的冻干化过程。