(1-叔丁氧基羰基氨基环己基)-乙酸 | 187610-56-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (1-叔丁氧基羰基氨基环己基)-乙酸
• 中文别名: BOC-1-氨基-环己基乙酸；(1-BOC-氨基环己基)乙酸；N-BOC-2-(1-氨基环己基)乙酸
• 英文名称: 2-(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)acetic acid
• 英文别名: (1-Tert-butoxycarbonylamino-cyclohexyl)-acetic acid；2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
• CAS: 187610-56-6
• 化学式: C₁₃H₂₃NO₄
• 分子量: 257.33
• InChiKey: GDTCTMDFEONLJC-UHFFFAOYSA-N

物化性质

• 沸点：
  409.6±14.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090
• 储存条件：
  温度维持在2-8°C，需要充入氩气。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (1-tert-Butoxycarbonylamino-cyclohexyl)-acetic 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: (1-tert-Butoxycarbonylamino-cyclohexyl)-acetic acid
CAS number: 187610-56-6

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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: C13H23NO4
Molecular weight: 257.3

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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：

  (1-叔丁氧基羰基氨基环己基)-乙酸 在 盐酸 、 碳酸氢钠 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 49.0h， 生成 methyl (2R*,3S*)-2-(4-fluorophenyl)-4-oxo-1-azaspiro[5.5]undecane-3-carboxylate
  参考文献：
  名称：

  有效合成新型2-螺哌啶，包括前所未有的非对称2,6-双螺哌啶

  摘要：

  叔烷基取代的δ-氨基-β-酮酸酯可以很容易地从β-氨基酸制备，然后可以与醛缩合以提供新颖的，高度取代的2-spiropiperidines。该方法允许访问先前报道的2-螺哌啶类的构象上不同的结构和区域异构体，并进一步扩大了探索三维化学空间的潜力。使用3-氧杂环丁酮作为亲电试剂产生了具有合成挑战性的非对称2,6-双-双螺哌啶的第一个实例。

  DOI：

  10.1016/j.tetlet.2020.152752
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 加巴喷丁 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.0h， 生成 (1-叔丁氧基羰基氨基环己基)-乙酸
  参考文献：
  名称：

  [EN] FATTY ACID GAMMA AMINOBUTYRIC ACID (GABA) CONJUGATES AND THEIR USES
  [FR] CONJUGUÉS D'ACIDE GRAS ET D'ACIDE GAMMA-AMINOBUTYRIQUE (GABA) ET LEURS APPLICATIONS

  摘要：

  该发明涉及脂肪酸GABA共轭物；包含有效量脂肪酸GABA共轭物的组合物；以及用于治疗或预防代谢性疾病或炎症性疾病的方法，包括给予有效量脂肪酸GABA共轭物。

  公开号：

  WO2012161798A1

文献信息

• PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS
  申请人：Nelson Derek W.

  公开号：US20110144165A1

  公开（公告）日：2011-06-16

  The present invention provides for compounds of formula (I) wherein A 2 , L 2 , R 1g , R 2A , R 3A , R 4A , R 1a , R 1b , q1, and z are as defined in the specification, are prodrugs of CB 2 receptors ligands and as such are useful in the prevention and treatment of various diseases and conditions including, but not limited to, pain.

  当前发明提供了公式（I）的化合物 其中A 2 ，L 2 ，R 1g ，R 2A ，R 3A ，R 4A ，R 1a ，R 1b ，q1和z如说明书所定义，是CB 2 受体配体的前药，因此可用于预防和治疗包括但不限于疼痛的各种疾病和状况。
• [EN] BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS<br/>[FR] COMPOSÉS DE BISARYLSULFONE ET DE DIALKYLARYLSULFONE EN TANT QUE BLOQUANTS DU CANAL CALCIQUE
  申请人：ZALICUS PHARMACEUTICALS LTD

  公开号：WO2012061926A1

  公开（公告）日：2012-05-18

  The invention relates to bisarylsulfone and dialkylarylsulfone compounds (e.g., compounds according to any of Formulas (I)-(IX) or compounds (1)-(227) of Tables 4 and 5) useful in treating conditions associated with calcium channel function, and particularly conditions associated with N-type calcium channel activity. The invention also relates to pharmaceutical compositions that include these bisarylsulfone compounds, as well methods for the treatment of conditions such as cardiovascular disease, epilepsy, cancer and pain.

  这项发明涉及对双芳基砜和二烷基芳基砜化合物（例如，符合任何公式（I）-（IX）或表4和5中化合物（1）-（227）的化合物）的用途，用于治疗与钙通道功能有关的疾病，特别是与N型钙通道活性有关的疾病。该发明还涉及包括这些双芳基砜化合物的药物组合物，以及用于治疗心血管疾病、癫痫、癌症和疼痛等疾病的方法。
• [EN] CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] COMPOSÉS INHIBITEURS DE KINASE DÉPENDANT DE LA CYCLINE POUR LE TRAITEMENT D'AFFECTIONS MÉDICALES
  申请人：G1 THERAPEUTICS INC

  公开号：WO2021236650A1

  公开（公告）日：2021-11-25

  This invention is in the area of cell cycle inhibiting compounds for the treatment of disorders involving abnormal cellular proliferation, and include selective CDK2 inhibitors for medical therapy and their pharmaceutically acceptable salts and compositions.

  这项发明涉及细胞周期抑制化合物领域，用于治疗涉及异常细胞增殖的疾病，包括用于医学治疗的选择性CDK2抑制剂及其药用盐和组合物。
• [EN] POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS<br/>[FR] ANTAGONISTES DE TLR7/8 POLYCYLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES IMMUNES
  申请人：MERCK PATENT GMBH

  公开号：WO2017106607A1

  公开（公告）日：2017-06-22

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as toll-like receptor 7/8 (TLR7/8) antagonists. In Formula (I), Ring A is aryl or heteroaryl; Ring B is aryl or heteroary; and X is C(R4)2, O, NR4, S, S(R4), or S(R4)2.

  本发明涉及式(I)的化合物及其药学上可接受的组合物，作为Toll样受体7/8（TLR7/8）拮抗剂。在式(I)中，环A是芳基或杂芳基；环B是芳基或杂芳基；X是C(R4)2、O、NR4、S、S(R4)或S(R4)2。
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA CYSTEINE PROTEASE
  申请人：AXYS PHARM INC

  公开号：WO2003097617A1

  公开（公告）日：2003-11-27

  The present invention is directed to compounds that are inhibitors of cysteine protease, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是包括B、K、L、F和S型半胱氨酸蛋白酶，在治疗由这些蛋白酶介导的疾病中具有用途。本发明涉及包括这些化合物的药物组合物和其制备方法。