1-哌啶基乙酸 | 3235-67-4

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香酸
• 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-哌啶基乙酸
• 中文别名: 1-哌啶乙酸-1,4-甲基-(9CI)；1-Boc-3-苄基-3-哌啶甲酸
• 英文名称: piperidinoacetic acid
• 英文别名: 2-(piperidin-1-yl)acetic acid；1-piperidineacetic acid；piperidin-1-yl-acetic acid；piperidineacetic acid；2-(1-piperidyl)acetic acid；2-Piperidin-1-ium-1-ylacetate
• CAS: 3235-67-4
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: VRDBIJCCXDEZJN-UHFFFAOYSA-N

物化性质

• 熔点：
  214-216 °C(Solv: chloroform (67-66-3))
• 沸点：
  252.2±23.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R41
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338+P310
• 危险品运输编号：
  1759
• 危险性描述：
  H318
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Piperidin-1-yl-acetic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H318: Causes serious eye damage
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: Piperidin-1-yl-acetic acid
CAS number: 3235-67-4

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.

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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: C7H13NO2
Molecular weight: 143.2

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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-哌啶基乙酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-(1-piperidinyl)acetyl chloride
  参考文献：
  名称：

  异羟肟酸-哌啶共轭物是在生理条件下用于赖氨酸乙酰化的活化催化剂。

  摘要：

  蛋白质的赖氨酸酰化是翻译后修饰的基本化学反应，并且是各种应用中蛋白质修饰的手段。N，N-二甲基-4-氨基吡啶（DMAP）衍生物是蛋白质赖氨酸酰化的广泛使用的催化剂。然而，由于其碱性，DMAP部分在生理条件下大多以质子化的形式存在，因此失活。提供更高酰化活性的替代催化基序将进一步拓宽化学赖氨酸酰化的可能应用。我们在本文中报道了在生理条件下，异羟肟酸-哌啶共轭物Ph-HXA比DMAP是赖氨酸乙酰化的更活跃的催化基序。与DMAP相比，异羟肟酸部分大部分在中性pH水溶液中去质子化，导致更高浓度的活化形式。与DMAP相比，Ph-HXA催化剂对高浓度谷胱甘肽的失活耐受性也更高。因此，Ph-HXA可能是细胞中靶蛋白选择性和位点选择性乙酰化的合适催化基序。

  DOI：

  10.1002/asia.201901737
• 作为产物：
  描述：

  1-哌啶乙酸乙酯 在 potassium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 生成 1-哌啶基乙酸
  参考文献：
  名称：

  开发了一系列作为G-四链体配体的双三唑†

  摘要：

  端粒酶（一种保护染色体末端的特殊复合物）的维护是由端粒酶复合物提供的，端粒酶是80％以上的癌细胞激活但在大多数正常细胞中却不存在的关键因素。靶向端粒维持机制可能会阻止多种癌症类型的肿瘤生长。染色体的端粒末端由富含鸟嘌呤的DNA的非编码重复序列组成。这些富含G的末端可以折叠成称为G-四链体的结构。通过称为G4配体的小结合分子稳定G-四链体可以阻止端粒酶维持癌细胞中端粒的完整性。G-四链体也可以存在于基因组的其他部分，尤其是在癌基因的启动子序列中，并且也是有趣的药物靶标。这里，我们描述了一系列新的新型双三唑的开发，这些双三唑旨在稳定地将G-四链体结构作为G4配体来稳定。FRET分析显示两种化合物是中等有效的G4结合剂，对由Hsp90a启动子序列形成的四链体具有特定的亲和力，并且对G-四链体DNA具有良好的选择性与双链DNA。但是，CD光谱法未能提供有关由于其与配体之一相互作用而导致的人类端粒G

  DOI：

  10.1039/c7ra07257k
• 作为试剂：
  描述：

  2-(6-acetylcyclohepta-1,3,5-triene-1-yl)-1-formylazulene 在 lithium aluminium tetrahydride 、 1-哌啶基乙酸 、 三氯化铝 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 10.0h， 生成 (12Z)-tetracyclo[13.4.1.02,11.04,10]icosa-1(19),2,4,6,8,10,12,15,17-nonaene
  参考文献：
  名称：

  The synthesis and properties of azuleno[1,2-d]bicyclo[5.4.1]dodeca-1,4,6,8,9a-pentaen-3-one and its cationic species

  摘要：

  DOI：

  10.1016/s0040-4039(00)99518-2

文献信息

• Novel Compounds
  申请人：Chhipa Laxmikant

  公开号：US20100168110A1

  公开（公告）日：2010-07-01

  The present invention discloses a novel thyroid like compounds of formula (I), wherein R 1 R 2 , R 3 , R 4 and Z are as defined in the specification, method for its preparation, composition containing such compounds and use of such compounds and composition as medicament. Further, compounds of formula (I) has significantly low binding affinity to thyroid receptors and thus considerably devoid of thyrotoxic effects. The invention also relates to the use of the compound of formula (I) for the preparation of a medicament for treating various disease conditions such as obesity, dyslipidemia, metabolic syndrome and co-morbidities associated with metabolic syndrome.

  本发明公开了一种新型的甲状腺类似化合物，其化学式为（I），其中R1、R2、R3、R4和Z如规范中所定义，以及其制备方法、含有这种化合物的组合物和这种化合物及组合物作为药物的用途。此外，化合物的化学式（I）具有与甲状腺受体显著低的结合亲和力，因此在很大程度上缺乏甲状腺毒性作用。该发明还涉及将化学式（I）的化合物用于制备用于治疗肥胖、血脂异常、代谢综合征以及与代谢综合征相关的合并症等各种疾病状况的药物。
• [EN] NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS 2-PIPERIDIN-1-YL-ACETAMIDE UTILISABLES EN TANT QU'INHIBITEURS DE TANKYRASE
  申请人：NOVARTIS AG

  公开号：WO2013012723A1

  公开（公告）日：2013-01-24

  The present invention provides for compounds of formula (I), wherein R1-R5 and L are defined herein. The present invention also provides for pharmaceutical compositions and combinations comprising a compound of formula (I) as well as for the use of such compounds as tankyrase inhibitors and in the treatment of Wnt signaling and tankyrase 1 and 2 signaling related disorders which include, but are not limited to, cancer.

  本发明提供了式(I)的化合物，其中R1-R5和L在此处定义。本发明还提供了包含式(I)化合物的药物组合物和组合物，以及将这些化合物用作坦基酶抑制剂以及用于治疗Wnt信号和坦基酶1和2信号相关疾病的用途，包括但不限于癌症。
• Sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060079520A1

  公开（公告）日：2006-04-13

  Acyl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  酰基磺酰胺，带有周取代的融合双环环化合物，用于治疗或预防前列腺素介导的疾病或症状。这些化合物的一般公式为 代表性示例是：
• Methods and compounds for inhibiting mrp1
  申请人：——

  公开号：US20030100576A1

  公开（公告）日：2003-05-29

  The present invention further relates to a method of inhibiting MRP1 in a mammal which comprises administering to a mammal in need thereof an effective amount of a compound of formula (I).

  本发明还涉及一种抑制哺乳动物中MRP1的方法，包括向需要的哺乳动物施用化合物(I)的有效量。
• [EN] CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME<br/>[FR] COMPOSÉS CARBAMATES ET LEUR PROCÉDÉ DE FABRICATION ET D'UTILISATION
  申请人：ABIDE THERAPEUTICS

  公开号：WO2013142307A1

  公开（公告）日：2013-09-26

  Provided herein are carbamate compounds which may be useful in the treatment of, for example, pain, solid tumors and/or obesity.

  本文提供的是可能在治疗疼痛、实体肿瘤和/或肥胖等方面有用的氨基甲酸酯化合物。