N-(6-氯-3-哒嗪基)乙酰胺 | 14959-31-0

• 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: N-(6-氯-3-哒嗪基)乙酰胺
• 中文别名: N-(6-氯-3-吡嗪)乙酰胺
• 英文名称: N-(6-chloro-3-pyridazinyl)acetamide
• 英文别名: N-(6-chloropyridazin-3-yl)acetamide；N-(6-chloro-pyridazin-3-yl)-acetamide；N-(6-chloro-pyridazin-3-yl)-acetamide；3-Acetoamino-6-chloro-pyridazin；3-Acetylamino-6-chlorpyridazin；3-Chlor-6-acetamido-pyridazin
• CAS: 14959-31-0
• 化学式: C₆H₆ClN₃O
• 分子量: 171.586
• InChiKey: UNQTYWWIVXWOJT-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C (decomp)
• 沸点：
  461.8±30.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Acetamido-6-chloropyridazine
Synonyms: N-(6-Chloro-3-pyridazinly)acetamide

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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-Acetamido-6-chloropyridazine
CAS number: 14959-31-0

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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: C6H6ClN3O
Molecular weight: 171.6

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-氨基-6-氯哒嗪	3-Amino-6-chloropyridazine	5469-69-2	C4H4ClN3	129.549

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  3-氨基-6-氯哒嗪	3-Amino-6-chloropyridazine	5469-69-2	C4H4ClN3	129.549

反应信息

• 作为反应物：
  描述：

  2-羟基苯硼酸 、 N-(6-氯-3-哒嗪基)乙酰胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 20.0h， 以10 mg的产率得到N-(6-(2-hydroxyphenyl)pyridazin-3-yl)acetamide
  参考文献：
  名称：

  [EN] THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS THÉRAPEUTIQUES DE PYRIDAZINE ET LEURS UTILISATIONS

  摘要：

  本发明涉及式(I)的化合物及其盐，其中：R1-R4具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作BRG1、BRM和/或PB1的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种BRG1介导的疾病、BRM介导的疾病和/或PB1介导的疾病中使用这些化合物和盐的方法。

  公开号：

  WO2016138114A1
• 作为产物：
  描述：

  N-Acetyl-N-(6-chloro-pyridazin-3-yl)-acetamide 在 2,3,4-三甲氧基苯甲醇 、 potassium tert-butylate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 2.0h， 生成 N-(6-氯-3-哒嗪基)乙酰胺
  参考文献：
  名称：

  酰胺阴离子作为亲核杂芳族取代中的意外活化基团

  摘要：

  与中性酰胺基和氨基取代基相比，乙酰氨基阴离子取代基意外地在哒嗪，酞嗪，噻唑和噻二唑中用醇盐进行卤化物的亲核置换。

  DOI：

  10.1016/0040-4039(96)00734-4

文献信息

• Piperidine derivative and use thereof
  申请人：Shirai Junya

  公开号：US20080275085A1

  公开（公告）日：2008-11-06

  The present invention provides a novel piperidine derivative and a tachykinin receptor antagonist containing same, as well as a compound represented by the formula: wherein R 1 is carbamoylmethyl, methylsulfonylethylcarbonyl and the like; R 2 is methyl or cyclopropyl; R 3 is a hydrogen atom or methyl; R 4 is a chlorine atom or trifluoromethyl; R 5 is a chlorine atom or trifluoromethyl; and a group represented by the formula: is a group represented by the formula: wherein R 6 is a hydrogen atom, methyl, ethyl or isopropyl; R 7 is a hydrogen atom, methyl or a chlorine atom; and R 8 is a hydrogen atom, a fluorine atom, a chlorine atom or methyl; or 3-methylthiophen-2-yl, and a salt thereof.

  本发明提供了一种新颖的哌啶衍生物和含有该衍生物的催吐肽受体拮抗剂，以及由下式表示的化合物： 其中R1为羰胺甲基、甲磺酰乙基羰基等；R2为甲基或环丙基；R3为氢原子或甲基；R4为氯原子或三氟甲基；R5为氯原子或三氟甲基；以及由下式表示的基团： 是由下式表示的基团： 其中R6为氢原子、甲基、乙基或异丙基；R7为氢原子、甲基或氯原子；R8为氢原子、氟原子、氯原子或甲基；或3-甲基噻吩-2-基，并且其盐。
• [EN] FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES<br/>[FR] DIHYDROPYRANNES FONDUS UTILISÉS COMME MODULATEURS DE GPR119 POUR TRAITER LE DIABÈTE, L'OBÉSITÉ ET LES MALADIES ASSOCIÉES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012080476A1

  公开（公告）日：2012-06-21

  The present invention relates to compounds of general formula (I), wherein the groups R1, LP, LQ, X1, X2, X3, Ar and n are as defined in the application, which have valuable pharmacological properties, and in particular bind to the GPR119 receptor and modulate its activity.

  本发明涉及一般式（I）的化合物，其中基团R1、LP、LQ、X1、X2、X3、Ar和n如申请中所定义，具有有价值的药理特性，特别是结合到GPR119受体并调节其活性。
• Compounds, pharmaceutical compositions and uses thereof
  申请人：HIMMELSBACH Frank

  公开号：US20120322784A1

  公开（公告）日：2012-12-20

  The present invention relates to compounds of formula I, wherein the groups R 1 , L P , L Q , X 1 , X 2 , X 3 , Ar and n are as defined in the application, which have valuable pharmacological properties, and in particular bind to the GPR119 receptor and modulate its activity.

  本发明涉及公式I的化合物， 其中R 1 ，LP，LQ，X 1 ，X 2 ，X 3 ，Ar和n的定义如申请中所述，具有有价值的药理特性，特别是结合GPR119受体并调节其活性。
• [EN] SUBSTITUTED 3-HETEROARYLOXY-3-(HETERO)ARYL-PROPYLAMINES AS SEROTONIN TRANSPORTER AND SEROTONIN HT2C RECEPTOR MODULATORS<br/>[FR] 3-HÉTÉROARYLOXY-3-(HÉTÉRO)ARYL-PROPYLAMINES SUBSTITUÉES COMME MODULATEURS DE TRANSPORTEUR DE LA SÉROTONINE ET DU RÉCEPTEUR HT2C DE LA SÉROTONINE
  申请人：AAPA B V

  公开号：WO2014046544A1

  公开（公告）日：2014-03-27

  The present invention relates to compounds compound according to Formula (1): and pharmaceutically acceptable salts, hydrates and solvates thereof. These compounds have serotonin (5-HT) transporter inhibitory effects and 5-HT 2C receptor antagonist or inverse agonist effects. The present invention also relates to pharmaceutical compositions comprising these compounds, and methods of using them for application in the prophylaxis or treatment of CNS disorders.

  本发明涉及按照式（1）的化合物和其药学上可接受的盐、水合物和溶剂合物。这些化合物具有血清素（5-HT）转运体抑制作用和5-HT 2C 受体拮抗剂或逆激动剂作用。本发明还涉及包含这些化合物的药物组合物，以及将它们用于预防或治疗中枢神经系统疾病的方法。
• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA REPLICATION DU VIRUS DE L'IMMUNODEFICIENCE HUMAINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010130034A1

  公开（公告）日：2010-11-18

  Compounds of formula I wherein a, R1, R2, R3, R4, R5 and R6 are defined herein, are useful as inhibitors of HIV replication.

  式I中的化合物，其中a、R1、R2、R3、R4、R5和R6如本文所定义，可用作HIV复制抑制剂。