2-氨基-6-氯咪唑并[1,2-B]哒嗪 | 887625-09-4

• 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 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氨基-6-氯咪唑并[1,2-B]哒嗪
• 中文别名: 2-氨基-6-氯咪唑并[1,2-b]哒嗪
• 英文名称: 6-chloroimidazo[1,2-b]pyridazin-2-amine
• 英文别名: 2-Amino-6-chloroimidazo[1,2-b]pyridazine
• CAS: 887625-09-4
• 化学式: C₆H₅ClN₄
• 分子量: 168.585
• InChiKey: VEHNVCGISXDBIG-UHFFFAOYSA-N

物化性质

• 密度：
  1.71

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 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：
  室温和干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-6-chloroimidazo[1,2-b]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: 2-Amino-6-chloroimidazo[1,2-b]pyridazine
CAS number: 887625-09-4

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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.
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: C6H5ClN4
Molecular weight: 168.6

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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

反应信息

• 作为反应物：
  描述：

  2-氨基-6-氯咪唑并[1,2-B]哒嗪 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 20.0~100.0 ℃ 、1.03 MPa 条件下， 反应 4.5h， 生成 Methyl 2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazine-6-carboxylate
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 δ/&egr; INHIBITORS
  [FR] UTILISATION DE NOUVEAUX IMIDAZOLES SUBSTITUÉS COMME INHIBITEURS DE LA CASÉINE KINASE 1 &Dgr;/&Egr;

  摘要：

  这项发明提供了式（I）的化合物及其药学上可接受的盐。式（I）的化合物通过抑制蛋白激酶活性，因此可用作抗癌药物。

  公开号：

  WO2014100533A1
• 作为产物：
  描述：

  N-(6-氯咪唑并[1,2-b]吡嗪-2-基)-2,2,2-三氟乙酰胺 在 水 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 以89%的产率得到2-氨基-6-氯咪唑并[1,2-B]哒嗪
  参考文献：
  名称：

  [EN] FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE
  [FR] COMPOSÉS BICYCLIQUES FUSIONNÉS UTILISÉS COMME INHIBITEURS DE LA PI3 KINASE

  摘要：

  该发明涉及用于调节磷脂酰肌醇3-激酶活性及相关疾病的化合物（I）的公式。

  公开号：

  WO2010100144A1

文献信息

• [EN] CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS<br/>[FR] CARBOXAMIDES UTILISÉES EN TANT QU'INHIBITEURS DE PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2019032863A1

  公开（公告）日：2019-02-14

  The present disclosure relates to modulators, such as inhibitors, of at least one pathway chosen from USP28 and USP25, pharmaceutical compositions comprising the inhibitors, and methods of using the inhibitors. The modulators, such as inhibitors, of at least one pathway chosen from USP28 and USP25 can be useful in the treatment of cancers, among other ailments.

  本公开涉及调节剂，如抑制剂，至少选择自USP28和USP25中的一条途径的药物组合物包括这些抑制剂，以及使用这些抑制剂的方法。这些调节剂，如抑制剂，至少选择自USP28和USP25中的一条途径，可用于治疗癌症等疾病。
• [EN] PYRAZOLE SUBSTITUTED IMIDAZOPYRAZINES AS CASEIN KINASE 1 D/E INHIBITORS<br/>[FR] UTILISATION D'IMIDAZOPYRAZINES À SUBSTITUTION PYRAZOLE COMME INHIBITEURS DE CASÉINE KINASE 1 D/E
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014100540A1

  公开（公告）日：2014-06-26

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.

  这项发明提供了式（I）的化合物及其药学上可接受的盐。式（I）的化合物通过抑制蛋白激酶活性，从而使它们在作为抗癌药物方面具有用处。
• Inhibitors of PI3 kinase
  申请人：Booker Shon

  公开号：US20090163489A1

  公开（公告）日：2009-06-25

  The present invention relates to compounds of Formula I, or a pharmaceutically acceptable salt thereof, that inhibit phosphoinositide 3-kinase; methods of treating diseases or conditions, such as cancer, using the compounds; and pharmaceutical compositions containing the compounds.

  本发明涉及式I的化合物，或其药学上可接受的盐，其抑制磷脂酰肌醇3-激酶的方法；使用这些化合物治疗疾病或病况的方法，如癌症；以及含有这些化合物的药物组合物。
• Rational Design, Synthesis and Evaluation of Novel <scp>C6</scp> ‐Bicycloalkaneimidazole Containing Imidazo[1,2‐ <i>b</i> ]pyridazines for <scp>ASK1</scp> Inhibition
  作者：Yujin Lee、Jiyoon Jang、Maimoona Bibi、Krishna Babu Duggirala、Sang Hee Ji、Ji Hun Lee、Sunjoo Ahn、Jin Sook Song、Chong Hak Chae、Seong Hwan Kim、Kwangho Lee

  DOI：10.1002/bkcs.12275

  日期：2021.6

  most common chronic liver diseases including simple steatosis and nonalcoholic steatohepatitis. In this manuscript, novel ASK1 inhibitor lead KTA-29 which has an imidazo[1,2-b]pyridazine core with novel C6-bicycloheptaneimidazole is disclosed. With the novel imidazo[1,2-b]pyridazine core, structure-activity-relationship study for ASK1 potency is described and KTA-29 affinity toward ASK1 with molecular

  凋亡信号调节激酶 1 (ASK1) 是丝裂原活化蛋白激酶激酶 (MAP3K) 家族的成员，涉及 MAP 激酶、c-Jun N 端激酶和 p38 MAP 激酶的下游磷酸化。ASK1 抑制剂可能有益于改善疾病的发展和进展。特别是，作为最常见的慢性肝病，包括单纯性脂肪变性和非酒精性脂肪性肝炎，ASK1 作为非酒精性脂肪性肝病的治疗靶点之一备受关注。在这份手稿中，公开了新型 ASK1 抑制剂铅 KTA-29，它具有咪唑并[1,2- b ]哒嗪核心和新型 C6-双环庚烷咪唑。随着新型咪唑[1,2- b]哒嗪核心，描述了 ASK1 效力的结构-活性-关系研究，并解释了 KTA-29 对 ASK1 的亲和力和分子建模研究。
• HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON P13K
  申请人：Shionogi&Co., Ltd.

  公开号：EP2277881A1

  公开（公告）日：2011-01-26

  The purpose of the present invention is to provide a compound or a pharmaceutically acceptable salt thereof which inhibits the activity of PI3K to regulate many biological processes including the growth, differentiation, survival, proliferation, migration, metabolism, and the like of cells and is therefore useful for the prevention/treatment of diseases including inflammatory diseases, arteriosclerosis, vascular/circulatory diseases, cancer/tumors, immune system diseases, cell proliferative diseases, infectious diseases, and the like. This was achieved by providing a substituted 2-amino-5,6-nitrogenated fused ring compound shown in the present specification, or a pharmaceutically acceptable salt thereof.

  本发明的目的是提供一种化合物或其药用可接受的盐，其抑制PI3K的活性，以调节包括细胞的生长、分化、存活、增殖、迁移、代谢等在内的许多生物过程，因此对于预防/治疗炎症性疾病、动脉硬化、血管/循环疾病、癌症/肿瘤、免疫系统疾病、细胞增殖性疾病、传染性疾病等疾病是有用的。通过提供本说明书中所示的一种取代的2-氨基-5,6-氮杂融合环化合物或其药用可接受的盐来实现这一目标。