1-吡啶-4-哌啶-4-甲酸 | 93913-86-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-吡啶-4-哌啶-4-甲酸
• 中文别名: 1-(吡啶-4-基)哌啶-4-羧酸
• 英文名称: 4-carboxy-N-(4'-pyridino) piperidine
• 英文别名: 1-Pyridin-1-ium-4-ylpiperidine-4-carboxylate
• CAS: 93913-86-1
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: UISWRUUBFFHGLE-UHFFFAOYSA-N

物化性质

• 沸点：
  407.9±35.0 °C(Predicted)
• 密度：
  1.233±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 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: 1-Pyridin-4-yl-piperidine-4-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: 1-Pyridin-4-yl-piperidine-4-carboxylic acid
CAS number: 93913-86-1

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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: C11H14N2O2
Molecular weight: 206.2

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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-吡啶-4-哌啶-4-甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-pyridinyl)piperidin-4-yl carbonyl chloride
  参考文献：
  名称：

  Aromatic amides

  摘要：

  本申请涉及式I化合物（或其药用可接受的盐），如本文所述，其药物组合物，及其作为因子Xa抑制剂的用途，以及其制备过程和中间体。

  公开号：

  US06635657B1
• 作为产物：
  描述：

  哌啶-4-甲酸乙酯 在 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 120.0h， 生成 1-吡啶-4-哌啶-4-甲酸
  参考文献：
  名称：

  具有抗凝活性的P1处带有4-（Piperidin-1-yl）吡啶的直接凝血酶抑制剂的合成及生物学评价

  摘要：

  描述了一种新型的非肽类直接凝血酶抑制剂的设计和合成，该抑制剂建立在1-（吡啶-4-基）哌啶-4-羧酰胺的结构上。从显示弱的凝血酶（fIIa）和Xa因子（fXa）抑制活性的强碱性1- ami基哌啶衍生物（6）开始，通过优化碱性P1和X-取代的苯基P4可显着提高抗fIIa活性和人工膜通透性结合部分。结构-活性关系研究以及有用的分子建模结果使我们得以鉴定出化合物13b，该化合物表现出出色的fIIa抑制作用（K i = 6 nM），抗Xa活性弱（K i= 5.64μM），并且对其他丝氨酸蛋白酶（例如胰蛋白酶）具有显着的选择性。化合物13b在低微摩尔范围内显示出体外抗凝活性，并具有显着的膜通透性。在小鼠中（离体），13b在口服给药（100 mg·kg –1）后2 h表现出抗凝作用，与对照组相比，活化的部分凝血活酶时间（aPTT）延长了43％（P <0.05）。

  DOI：

  10.1021/jm401169a
• 作为试剂：
  描述：

  3,4,5,6-四氢-2H-[1,4]双吡啶-4-羧酸乙酯 、 氢氧化锂 、 水 在 1-吡啶-4-哌啶-4-甲酸 作用下， 以 四氢呋喃 为溶剂， 生成 1-吡啶-4-哌啶-4-甲酸
  参考文献：
  名称：

  Method for eliciting an &agr;v&bgr;5 or dual &agr;v&bgr;3/&agr;v&bgr;5 antagonizing effect

  摘要：

  一种诱导哺乳动物体内出现αvβ5或双重αvβ3/αvβ5拮抗作用的方法，包括向哺乳动物体内投入一种化合物的治疗有效量，该化合物的公式有助于抑制再狭窄、血管生成、动脉硬化、糖尿病视网膜病变、黄斑变性、炎症或肿瘤生长。

  公开号：

  US06294549B1

文献信息

• Diamine derivatives
  申请人：Ohta Toshiharu

  公开号：US20050020645A1

  公开（公告）日：2005-01-27

  A compound represented by the general formula (1): Q 1 -Q 2 -T 0 -N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 (1) wherein R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q 2 is a single bond or the like; Q 3 is a group in which Q 5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T 0 and T 1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  通用式（1）表示的化合物： Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4（1） 其中R1和R2是氢原子或类似物；Q1是饱和或不饱和的、5-或6-成员环烃基，可以被取代，或类似物；Q2是单键或类似物；Q3是一个基团，其中Q5是具有1至8个碳原子的烷基基团，或类似物；T0和T1是羰基团或类似物；其盐、溶剂合物或N-氧化物。 该化合物可用作预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成，或抽血时的血液凝结。
• [EN] 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS<br/>[FR] DERIVES DE PIPERIDINE 1,4 DISUBSTITUEE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE 11-BETAHSD1
  申请人：ASTRAZENECA AB

  公开号：WO2004033427A1

  公开（公告）日：2004-04-22

  The use of a compound of formula (I) in the manufacture of a medicament for use in the inhibition of 11βHSD1 is described.

  使用式(I)的化合物制造用于抑制11βHSD1的药物。
• NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS
  申请人：Leonardi Amedeo

  公开号：US20090042841A1

  公开（公告）日：2009-02-12

  This invention relates to novel heterocyclic compounds having selective affinity for the mGlu5 subtype of metabotropic receptors, pharmaceutical compositions thereof and uses for such compounds and compositions in the treatment of lower urinary tract disorders, such as neuromuscular dysfunction of the lower urinary tract, and in the treatment of migraine and gastroesophagael reflux disease (GERD).

  本发明涉及一种新型杂环化合物，其具有选择性亲和力，适用于代谢型受体mGlu5亚型，以及该类化合物的制药组合物及其在治疗下尿路障碍（例如下尿路神经肌肉功能障碍）、偏头痛和胃食管反流病（GERD）方面的用途。
• Aminoheterocyclic derivatives as antithrombotic or anticoagulant
  申请人：Zeneca Limited

  公开号：US05965559A1

  公开（公告）日：1999-10-12

  The invention concerns compounds of formula (I), wherein each of G.sup.1, G.sup.2 and G.sup.6 is CH or n; m is 1 or 2; R.sup.1 includes hydrogen, halogeno and (1-4C)alkyl; M.sup.1 is a group of formula: NR.sup.2 -L.sup.1 -T.sup.1 R.sup.3, in which R.sup.2 and R.sup.3 together form a (1-4C)alkylene group, L.sup.1 includes (1-4C)alkylene, and T.sup.1 is CH or N; A may be a direct link; M.sup.2 is a group of the formula: (T.sup.2 R.sup.4).sub.r -L.sup.2 T.sup.3 R.sup.5 in which R is 0 or 1, each of T.sup.2 and T.sup.3 is CH or N, each of R.sup.4 and R.sup.5 is hydrogen or (1-4C)alkyl, or R.sup.4 and R.sup.5 together form a (1-4C)alkylene group, and L.sup.2 includes (1-4C)alkylene; M.sup.3 may be a direct link to X; X includes sulphonyl; and Q includes naphthyl and a heterocycle moiety; or a pharmaceutically-acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as antithrombotic or anticoagulant agents.

  该发明涉及式(I)的化合物，其中G.sup.1、G.sup.2和G.sup.6中的每一个是CH或n；m为1或2；R.sup.1包括氢、卤代和(1-4C)烷基；M.sup.1是式的一个基团：NR.sup.2 -L.sup.1 -T.sup.1 R.sup.3，在其中R.sup.2和R.sup.3共同形成一个(1-4C)烷基基团，L.sup.1包括(1-4C)烷基，T.sup.1为CH或N；A可以是直接连接；M.sup.2是式的一个基团：(T.sup.2 R.sup.4).sub.r -L.sup.2 T.sup.3 R.sup.5，在其中R为0或1，T.sup.2和T.sup.3中的每一个是CH或N，R.sup.4和R.sup.5中的每一个是氢或(1-4C)烷基，或R.sup.4和R.sup.5共同形成一个(1-4C)烷基基团，L.sup.2包括(1-4C)烷基；M.sup.3可以是到X的直接连接；X包括磺酰基；Q包括萘基和杂环基；或其药学上可接受的盐；它们的制备方法，含有它们的药物组合物以及它们作为抗血栓或抗凝血剂的用途。
• Antithrombotic agents
  申请人：Eli Lilly and Company

  公开号：US06313122B1

  公开（公告）日：2001-11-06

  This application relates to a compound of formula (I), a pharmaceutically acceptable salt of the compound, or a prodrug thereof, as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermediates therefor.

  这项申请涉及到式(I)的化合物，该化合物的药用盐或其前药，如本文所定义，以及其药物组合物，以及其作为Xa因子抑制剂的用途，以及其制备方法和中间体。