1-Cbz-4-氨甲基哌啶 | 157023-34-2

• 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: 1-Cbz-4-氨甲基哌啶
• 中文别名: 4-(氨甲基)四氢-1(2H)-吡啶甲酸苄酯
• 英文名称: 4-aminomethyl-N-benzyloxycarbonylpiperidine
• 英文别名: benzyl 4-(aminomethy)piperdine-1-carboxylate；4-(aminomethyl)tetrahydro-1(2H)-pyridinecarboxylic acid benzyl ester；1-Cbz-4-aminomethylpiperidine；4-aminomethyl-piperidine-1-carboxylic acid benzyl ester；benzyl 4-(aminomethyl)piperidine-1-carboxylate；1-Benzyloxycarbonyl-4-(aminomethyl)piperidine；4-Aminomethyl-1-(benzyloxycarbonyl)piperidine；(N-CBZ-piperidin-4-yl)methylamine；N-CBZ-(4-aminomethyl)piperidine
• CAS: 157023-34-2
• 化学式: C₁₄H₂₀N₂O₂
• mdl: MFCD03001690
• 分子量: 248.325
• InChiKey: ABJVEAFRFGTATH-UHFFFAOYSA-N

物化性质

• 沸点：
  385.7±25.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险品运输编号：
  UN 2735
• 危险性防范说明：
  P301+P312+P330
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Benzyl 4-(aminomethyl)piperidine-1-carboxylate
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 4-(aminomethyl)piperidine-1-carboxylate
CAS number: 157023-34-2

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C14H20N2O2
Molecular weight: 248.3

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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-Cbz-4-氨甲基哌啶 在 potassium fluoride 、 草酰氯 、 potassium carbonate 、 二甲基亚砜 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 生成 1-benzyloxycarbonyl-4-[N-tert-butoxylcarbonyl-N-(4-oxobutyl)amino]methylpiperidine
  参考文献：
  名称：

  发现的二氨基丁烷衍生物作为Ca（2+）可渗透的AMPA受体拮抗剂。

  摘要：

  我们设计和合成了一系列的多胺衍生物作为有效的Ca（2+）渗透性AMPA受体拮抗剂。在研究过程中，我们发现多胺衍生物表现出很强的降压活性，这对于神经保护剂是不希望的。因此，我们试图通过对这类化合物进行结构修饰来找到非降压拮抗剂。通过这种衍生作用，我们获得了具有所需特性的二胺化合物。特别是，化合物8f，它是非降压和有效的Ca（2+）渗透性AMPA受体拮抗剂，在沙鼠的短暂性全球缺血模型中显示出神经保护作用。

  DOI：

  10.1016/s0968-0896(01)00398-4
• 作为产物：
  描述：

  4-(phthalimidomethyl)piperidine 在 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-Cbz-4-氨甲基哌啶
  参考文献：
  名称：

  Synthesis of polyamine derivatives Having non-hypotensive Ca2+-permeable AMPA receptor antagonist activity

  摘要：

  In order to obtain non-hypotensive and Ca2+-permeable AMPA receptor antagonists, we have synthesized a series of 1,4-bis(4-piperidinylmethyl)diaminobutanes. Compounds 13b, c, f had desirable properties. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00170-6

文献信息

• N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists
  申请人：——

  公开号：US20020165241A1

  公开（公告）日：2002-11-07

  Compounds represented by Formula (I): 1 or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

  由化学式（I）表示的化合物及其药学上可接受的盐，可作为NMDA NR2B拮抗剂，用于缓解疼痛。
• Identification and Characterization of 4-Methylbenzyl 4-[(Pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate, an Orally Bioavailable, Brain Penetrant NR2B Selective <i>N</i>-Methyl-<scp>d</scp>-Aspartate Receptor Antagonist
  作者：Nigel J. Liverton、Rodney A. Bednar、Bohumil Bednar、John W. Butcher、Christopher F. Claiborne、David A. Claremon、Michael Cunningham、Anthony G. DiLella、Stanley L. Gaul、Brian E. Libby、Elizabeth A. Lyle、Joseph J. Lynch、John A. McCauley、Scott D. Mosser、Kevin T. Nguyen、Gary L. Stump、Hong Sun、Hao Wang、James Yergey、Kenneth S. Koblan

  DOI：10.1021/jm060983w

  日期：2007.2.1

  The discovery of a novel series of NR2B subtype selective N-methyl-d-aspartate (NMDA) antagonists is reported. Initial optimization of a high-throughput screening lead afforded an aminopyridine derivative 13 with significant NR2B antagonist potency but limited selectivity over hERG-channel and other off-target activities. Further structure-activity studies on the aminoheterocycle moiety and optimization

  据报道发现了一系列新的NR2B亚型选择性N-甲基-d-天冬氨酸（NMDA）拮抗剂。高通量筛选前导物的初步优化提供了具有显着NR2B拮抗剂效力但对hERG通道和其他脱靶活性的选择性有限的氨基吡啶衍生物13。对氨基杂环部分的进一步结构活性研究和氨基甲酸酯的优化导致了高效的2-氨基嘧啶衍生物20j，其在多个物种中的脱靶活性谱和口服生物利用度显着提高，并具有良好的脑渗透性。化合物20j在抗伤害感受，异常性疼痛和帕金森氏病的体内啮齿动物模型中显示出功效。
• [EN] BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS BIFONCTIONNELS POUR LE TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021083949A1

  公开（公告）日：2021-05-06

  The invention provides bifunctional compounds of formula (I) or a pharmaceutically acceptable salt thereof. Formula (I). The compounds cause the degradation of SMARCA2 via the targeted ubiquination of SMARCA2 protein and subsequent proteasomal degradation and are thus useful for the treatment of cancer. The targeting ligand is of formula (TL).

  该发明提供了式（I）的双功能化合物或其药用可接受的盐。式（I）。这些化合物通过靶向泛素化SMARCA2蛋白并随后的蛋白酶体降解来导致SMARCA2的降解，因此对于癌症的治疗是有用的。靶向配体的化学式为（TL）。
• KINASE INHIBITORS
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：US20130150361A1

  公开（公告）日：2013-06-13

  Compounds of formula (I): wherein R 2 , W, A, Y, and R 1 are as defined in the specification, and pharmaceutically acceptable salts thereof, are p38 MAPK inhibitors, and are useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract.

  式(I)的化合物：其中R2、W、A、Y和R1如规范中定义，并且其药学上可接受的盐，是p38 MAPK抑制剂，并且在治疗呼吸道疾病等炎症性疾病中作为抗炎药物有用。
• N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists
  申请人：——

  公开号：US20030119811A1

  公开（公告）日：2003-06-26

  Compounds represented by Formula (I): 1 or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

  由化学式(I)代表的化合物或其药用盐，可作为NMDA NR2B拮抗剂，用于缓解疼痛。