1-(6-氯哒嗪-3-基)哌啶 | 1722-11-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-(6-氯哒嗪-3-基)哌啶
• 中文别名: 3-氯-6-哌啶哒嗪
• 英文名称: 3-chloro-6-(piperidin-1-yl)pyridazine
• 英文别名: 3-Chlor-6-piperidino-pyridazin；3-chloro-6-piperidin-1-ylpyridazine
• CAS: 1722-11-8
• 化学式: C₉H₁₂ClN₃
• mdl: MFCD00574572
• 分子量: 197.667
• InChiKey: LCZPIRFDMBEGAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  80～82℃
• 沸点：
  388.6±27.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-6-(piperidin-1-yl)pyridazine
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: 3-Chloro-6-(piperidin-1-yl)pyridazine
CAS number: 1722-11-8

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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: C9H12ClN3
Molecular weight: 197.7

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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, hydrogen chloride.

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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-(6-氯哒嗪-3-基)哌啶 在 溶剂黄146 作用下， 反应 0.25h， 以75.55%的产率得到6-(piperidin-1-yl)pyridazin-3(2H)-one
  参考文献：
  名称：

  2-取代-6（吗啉基/哌啶基）哒嗪3（2H）-酮作为有效且更安全的消炎和镇痛药的合成和生物学评估

  摘要：

  合成了一系列2-取代6-（吗啉基/哌啶基）哒嗪3（2 H）-one，并使用各种光谱技术建立了结构。筛选目标化合物的抗炎和镇痛活性为20和40 mg / kg。通过评估抗血小板活性和溃疡指数来评估合成衍生物的安全性。获得的药理数据表明，发现6-吗啉基衍生物4a-12a比6-哌啶基衍生物4b-6b效力更高。6-吗啉基取代的哒嗪酮12a具有最大的抗炎和镇痛活性。Homoveratrylamine取代的化合物6a和6b在具有良好的抗炎和止痛活性且无致溃疡性的两个系列中均成为有希望的领先者。与标准药物阿司匹林相比，这两个系列化合物的抗血小板活性结果均显示出血时间明显缩短，表明新的哒嗪酮的心血管安全性。

  DOI：

  10.1002/jhet.2905
• 作为产物：
  描述：

  哌啶 、 3,6-二氯哒嗪 生成 1-(6-氯哒嗪-3-基)哌啶
  参考文献：
  名称：

  2-取代-6（吗啉基/哌啶基）哒嗪3（2H）-酮作为有效且更安全的消炎和镇痛药的合成和生物学评估

  摘要：

  合成了一系列2-取代6-（吗啉基/哌啶基）哒嗪3（2 H）-one，并使用各种光谱技术建立了结构。筛选目标化合物的抗炎和镇痛活性为20和40 mg / kg。通过评估抗血小板活性和溃疡指数来评估合成衍生物的安全性。获得的药理数据表明，发现6-吗啉基衍生物4a-12a比6-哌啶基衍生物4b-6b效力更高。6-吗啉基取代的哒嗪酮12a具有最大的抗炎和镇痛活性。Homoveratrylamine取代的化合物6a和6b在具有良好的抗炎和止痛活性且无致溃疡性的两个系列中均成为有希望的领先者。与标准药物阿司匹林相比，这两个系列化合物的抗血小板活性结果均显示出血时间明显缩短，表明新的哒嗪酮的心血管安全性。

  DOI：

  10.1002/jhet.2905

文献信息

• [EN] IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE TYROSINES KINASES RÉCEPTRICES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2009150240A1

  公开（公告）日：2009-12-17

  The invention relates to new bicyclic heterocyclic derivative compounds, to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  这项发明涉及新的双环杂环衍生物化合物，包括含有该化合物的药物组合物，以及利用该化合物治疗疾病，例如癌症。
• COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS
  申请人：Nickolaus Peter

  公开号：US20130237527A1

  公开（公告）日：2013-09-12

  The present invention relates to new medicament combinations which contain in addition to one or more PDE4-inhibitors (1) at least one EP4 receptor antagonist (2), as well as the use thereof for the treatment of preferably respiratory complaints such as particularly COPD, chronic sinusitis and asthma. The invention relates in particular to those medicament combinations which contain at least one EP4 receptor antagonist (2), in addition to one or more, preferably one, PDE4 inhibitor of general formula 1 wherein X is SO or SO 2 , but preferably SO, and wherein R 3 denotes an optionally substituted, mono- or bicyclic, unsaturated, partly saturated or saturated heterocyclic group or an optionally substituted, mono- or bicyclic heteroaryl and wherein R 1 and R 2 have the meanings given in claim 1, the preparation thereof and the use thereof for the treatment of respiratory complaints.

  本发明涉及新的药物组合，除了含有一种或多种PDE4抑制剂（1）外，还包含至少一种EP4受体拮抗剂（2），以及其用于治疗最好是呼吸道疾病，如慢性阻塞性肺疾病（COPD）、慢性鼻窦炎和哮喘等的用途。特别涉及那些含有至少一种EP4受体拮抗剂（2）的药物组合，除了一种或多种，最好是一种，PDE4通用式1的抑制剂，其中X为SO或SO2，但最好是SO，且其中R3表示一个可选择取代的、单环或双环、不饱和、部分饱和或饱和的杂环基团或一个可选择取代的、单环或双环杂环基团，其中R1和R2具有权利要求1中给出的含义，其制备和用于治疗呼吸道疾病的用途。
• Alkynylation of halopyridazines and their N-oxides.
  作者：AKIO OHSAWA、YOSHIHITO ABE、HIROSHI IGETA

  DOI：10.1248/cpb.28.3488

  日期：——

  Various 3-alkynylpyridazines have been prepared by cross-coupling of 3-halopyridazines and monosubstituted acetylenes in Et2NH with Pd (PPh3)2Cl2-CuI as a catalyst. Though the alkynylation of 3-chloropyridazine 1-oxides afforded 3-alkynylpyridazine 1-oxides, attempts to obtain 3-chloropyridazine 2-oxides were unsuccessful. N-Oxidation of 3-alkynylpyridazines with m-chloroperbenzoic acid yielded their 1-oxides exclusively

  以 Pd (PPh3)2Cl2-CuI 为催化剂，通过 3-卤哒嗪和单取代炔烃在 Et2NH 中的交叉偶联，制备了各种 3-炔基哒嗪。虽然 3-氯哒嗪 1-氧化物的炔化反应得到了 3-炔基哒嗪 1-氧化物，但试图得到 3-氯哒嗪 2-氧化物的尝试并不成功。3-alkynylpyridazines 与间氯过苯甲酸的 N-氧化反应只能得到它们的 1-氧化物。
• DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS
  申请人：NICKOLAUS Peter

  公开号：US20120028932A1

  公开（公告）日：2012-02-02

  The present invention relates to new drug combinations which contain in addition to one or more PDE4-inhibitors at least one NSAID (=non-steroidal anti-inflammatory drug) (2), processes for preparing them and their use in treating in particular respiratory complaints such as for example COPD, chronic sinusitis and asthma. The invention particularly relates to those drug combinations which, in addition to one or more, preferably one PDE4 inhibitor of general formula 1 wherein X is SO or SO 2 , but preferably SO, and wherein R 3 denotes an optionally substituted, mono- or bicyclic, unsaturated, partly saturated or saturated heterocyclic group or an optionally substituted, mono- or bicyclic heteroaryl and wherein R 1 and R 2 have the meanings given in claim 1, contain at least one NSAID (2), the preparation thereof and the use thereof for the treatment of respiratory complaints.

  本发明涉及包含除一个或多个PDE4抑制剂外，至少一个NSAID（非甾体抗炎药）的新药物组合，以及用于制备它们的方法以及它们在治疗呼吸道疾病（如COPD、慢性鼻窦炎和哮喘等）中的用途。该发明特别涉及那些药物组合，除了一个或多个，最好是一个一般式1中X为SO或SO2，但最好是SO，且其中R3表示一个可选择取代的、单环或双环、不饱和、部分饱和或饱和的杂环基团或一个可选择取代的、单环或双环杂芳基，其中R1和R2具有权利要求1中给出的含义，至少包含一个NSAID（2），其制备和用于治疗呼吸道疾病。
• NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS
  申请人：Ropp Sandrine

  公开号：US20100009980A1

  公开（公告）日：2010-01-14

  A subject of the invention is the compounds of formula (I): wherein R 1 , R 2 , R 3 , R′ 3 , R 4 , R′ 4 , R 5 , R 6 and R 7 are as described in the application, in the form of enantiomers or mixtures, as well as their salts with acids and bases, their preparation and their application as anti-bacterials, in both human and veterinary medicine.

  本发明涉及以下式（I）的化合物：其中R1、R2、R3、R′3、R4、R′4、R5、R6和R7如申请中所述，以对映体或混合物的形式存在，以及它们与酸和碱的盐，它们的制备以及它们作为抗菌剂在人类和兽医医学中的应用。