2-哌啶-1-基烟酸 | 78253-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-哌啶-1-基烟酸
• 中文别名: 2-哌啶烟酸
• 英文名称: 3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-carboxylic acid
• 英文别名: 2-piperidin-1-ylpyridine-3-carboxylic acid；2-(1-piperidyl)pyridine-3-carboxylic acid；2-(piperidin-1-yl)nicotinic acid；2-Piperidinonicotinic acid
• CAS: 78253-61-9
• 化学式: C₁₁H₁₄N₂O₂
• mdl: MFCD02181988
• 分子量: 206.244
• InChiKey: YNZJJMDTAFCBGO-UHFFFAOYSA-N

物化性质

• 熔点：
  102～104℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Name:	2-Piperidinonicotinic acid Material Safety Data Sheet
Synonym:	3,4,5,6-Tetrahydro-2H-[1,2']-bipyridinyl-3'-carboxylic acid.
CAS:	78253-61-9

Section 1 - Chemical Product MSDS Name: 2-Piperidinonicotinic acid Material Safety Data Sheet
Synonym: 3,4,5,6-Tetrahydro-2H-[1,2']-bipyridinyl-3'-carboxylic acid.

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
78253-61-9	2-Piperidinonicotinic acid	97+	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 78253-61-9: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 103-105 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H14N2O2
Molecular Weight: 206.25

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 78253-61-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Piperidinonicotinic acid - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 22 Do not breathe dust. S 24/25 Avoid contact with skin and eyes. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 78253-61-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 78253-61-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 78253-61-9 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 7/15/2004 Revision #1 Date: 7/15/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  哌啶 、 2-氯烟酸 在 N,N-二异丙基乙胺 作用下， 以 水 为溶剂， 反应 2.0h， 以47%的产率得到2-哌啶-1-基烟酸
  参考文献：
  名称：

  Microwave-assisted synthesis of 2-aminonicotinic acids by reacting 2-chloronicotinic acid with amines

  摘要：

  2-(Methylamino)nicotinic acid was readily prepared in high yield by reacting 2-chloronicotinic acid with 40% aq MeNH2 under microwave irradiation either at 120 degrees for 2 h or at 140 degrees C for 1.5 h. Subsequently, we found that a range of 2-aminonicotinic acids could be obtained under microwave heating. The optimal reaction conditions involved the use of 3 equiv of amine, water as the solvent and heating at 200 degrees C for 2 h in the presence of diisopropylethylamine (3 equiv). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.034

文献信息

• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。
• [EN] BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS<br/>[FR] DÉRIVÉS BENZODIAZÉPINE UTILISÉS COMME INHIBITEURS DU VIRUS RESPIRATOIRE SYNCYTIAL (RSV)
  申请人：ENANTA PHARM INC

  公开号：WO2017015449A1

  公开（公告）日：2017-01-26

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Respiratory Syncytial Virus (RSV). The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from RSV infection. The invention also relates to methods of treating an RSV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制呼吸道合胞病毒（RSV）。本发明还涉及包含上述化合物的药物组合物，用于治疗患有RSV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的RSV感染的方法。
• Carbonsäure-Derivate, deren Herstellung und diese Verbindungen enthaltende Arzneimittel
  申请人：Dr. Karl Thomae GmbH

  公开号：EP0023569A1

  公开（公告）日：1981-02-11

  Neue Carbonsäure-Derivate der allgemeinen Formel und neue 2-Amino-benzoesäure-Derivate der allgemeinen Formel worin R, R, bis R4, X, Y und Z die in Patentanspruch 1 sowie Rs-R, und W die in Patentanspruch 14 angegebene Bedeutung haben, und deren Säureadditionssalze, welche eine Wirkung auf den Stoffwechsel aufweisen. Außerdem stellen die neuen Verbindungen der allgemeinen Formel la sowie die Verbindungen der allgemeinen Formel I, in der Z ein Wasserstoff- oder Halogenatom, eine Nitro-, Amino-oder Cyanogruppe bedeutet, wertvolle Zwischenprodukte zur Herstellung der übrigen Verbindungen der allgemeinen Formel I dar, welche insbesondere blutzuckersenkende Eigenschaften besitzen. Die Verbindungen der allgemeinen Formeln I und la können nach für analoge Verbindungen üblichen Verfahren hergestellt werden.

  通式的新羧酸衍生物 和通式 2-氨基苯甲酸新衍生物 其中R、R至R4、X、Y和Z如权利要求1中所定义，Rs-R和W如权利要求14中所定义，以及它们对新陈代谢有影响的酸加成盐。此外，通式 la 的新化合物和通式 I 的化合物（其中 Z 表示氢原子或卤素原子、硝基、氨基或氰基）是制备通式 I 的其他化合物的有价值的中间体，这些化合物尤其具有降血糖作用。 通式 I 和 la 的化合物可通过类似化合物的常规方法制备。
• Benzodiazepine derivatives as RSV inhibitors
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10570153B2

  公开（公告）日：2020-02-25

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Respiratory Syncytial Virus (RSV). The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from RSV infection. The invention also relates to methods of treating an RSV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）化合物或其药学上可接受的盐、酯或原药： 其可抑制呼吸道合胞病毒（RSV）。本发明进一步涉及包含上述化合物的药物组合物，用于给受 RSV 感染的患者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者 RSV 感染的方法。
• DNA polymerase beta inhibitors
  申请人：The Johns Hopkins University

  公开号：US10711027B2

  公开（公告）日：2020-07-14

  Methods and compounds are disclosed for irreversibly inhibiting a DNA repair enzyme that possesses lyase activity.

  本研究公开了不可逆地抑制具有裂解酶活性的 DNA 修复酶的方法和化合物。