CAS: 943320-61-4; 3-Ethynylimidazo[1,2-B]Pyridazine

该化合物是一种以独特的双环结构为特征的杂交环化合物,它含有一非伊迪佐尔和一非丙胺,它具有一种乙烯基化合物,它有助于其反应和各种化学反应的潜在应用.它一般在室内温度下是固体,在有机溶剂中可能表现出中等溶解性.该苯基化合物的存在可以加强其电子特性,使它成为有机合成和药用化学用途的候选产品.此外,这种化合物可能展示生物活动,可以用于制药用途.分子结构允许与生物目标进行可能的相互作用,从而引起对药物发现的兴趣.和许多乙基尼基胺[1.2b] 的稳定性和再活性一样,3-乙基苯基胺的稳定性和再活性可以受到亚基苯的替代物和整个电子环境的影响.应当与所有化学物质一样,特别是在实验室环境中,遵守安全和处理预防措施.

英文名称3-Ethynylimidazo[1,2-B]Pyridazine
中文名称3-炔基咪唑[1,2-b]哒嗪
IUPAC名称3-ethynylimidazo[1,2-b]pyridazine
其它别名普纳替尼中间体; 3-Ethynylimidazo[1,2-B]Pyridazine
CAS编号943320-61-4
MFCD编号:MFCD17012027
FDA UNII编号:5YDU6N6N3Z
分子式:C8H5N3
分子量:143.15
产品CID: 1993338
产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

相似结构搜索
InChIKey: VYOHSFQVMLAURO-UHFFFAOYSA-N
InChI=1S/C8H5N3/c1-2-7-6-9-8-4-3-5-10-11(7)8/h1,3-6H…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

相似化合物

137384-48-6 572910-56-6 1487220-23-4

物理性质

密度1.15±0.1 g/cm3
pKa:3.71±0.30(预测)
PSA:30.19
LogP:0.7106
折射率1.634
外观形态白色至灰色固体
储存条件2-8°C
产品应用该化合物用于治疗慢性流血性白血病(CML)和费城的染色体-有源性急性淋巴菌病.

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

普纳替尼中间体 3-((Trimethylsilyl)Ethynyl)Imidazo[1,2-B]Pyridazine 943320-60-3
咪唑[1,2-B]并哒嗪 Imidazo[1.2-B]Pyridazine 766-55-2

合成工艺路线路线简述

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 0.5 H,Rt
标题:Preparation Of Substituted Benzamide Compounds For Treatment Of Tumor
参考文献:China]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; 2 H,Rt
标题:Preparation Of Bicyclic Alkyne Derivatives As Inhibitors Of Map Kinase Interacting Kinases For Therapy
参考文献:United Kingdom]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
标题:Preparation Of Benzo[b][1,4]Oxazepine Derivative For The Treatment Of Kinase-Related Disease
参考文献:Korea]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Acetonitrile; Rt; 20 H,100 °C1.2 Reagents: Potassium Carbonate Solvents: Methanol; 0.5 H,Rt
标题:Design,Synthesis,And Biological Evaluation Of 3-(1H-1,2,3-Triazol-1-Yl)Benzamide Derivatives As Potent Pan Bcr-Abl Inhibitors Including The Threonine315->Isoleucine315 Mutant
作者:Li,Yupeng; Shen,Mengjie; Zhang,Zhang; Luo,Jinfeng; Pan,Xiaofen; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(22) 页码:10033-10046]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 30 Min,Rt
标题:Aromatic Acetylenyl Benzamide Compounds As Protein Kinase Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases
参考文献:China]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Cuprous Iodide,Palladium,Bis(Acetonitrile)Dichloro- Solvents: Acetonitrile; Overnight,Rt -> 80 °C1.2 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,80 °C
标题:Abelson Non-Tyrosine Kinase Compounds For The Treatment Of Neurodegenerative Diseases
参考文献:World Intellectual Property Organization]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: Cuprous Iodide,Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; 1 H,Rt1.2 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 15 Min,Rt
标题:Structure Guided Design Of Potent And Selective Ponatinib-Based Hybrid Inhibitors For Ripk1
作者:Najjar,Malek; Suebsuwong,Chalada; Ray,Soumya S.; Thapa,Roshan J.; Maki,Jenny L.; Et Al
参考文献:Cell Reports 日期:2015 卷标:10(11) 页码:1850-1860]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Fluoride Solvents: Methanol,Water; 20 Min,Rt
标题:Preparation Of Piperazine Derivative As Bcr-Abl Inhibitor For Treatment Of Cancer
参考文献:China]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Fluoride Solvents: Methanol,Water; 20 Min,Rt
标题:Bcr-Abl Diploid Inhibitor,Preparation Method Therefor,And Uses Thereof
参考文献:World Intellectual Property Organization]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 15 Min,Rt
标题:Preparation Of Substituted Tetrahydronaphthalene Amide Compound And Its Pharmaceutically Acceptable Salt Useful In The Treatment Of Cancer
参考文献:China]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 2 H,Rt
标题:Piperzine Analogs Useful For Inhibiting Raf Dimers And Their Preparation
参考文献:World Intellectual Property Organization]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 6 H,Rt
标题:Quinazoline Compound And Its Application In Preparation Of Antitumor Drug
参考文献:China]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 15 Min,Rt
标题:S-Type Or R-Type Tetrahydronaphthalene Amide Compounds,Pharmaceutically Acceptable Salts Thereof,Preparation Method And Application Thereof In Preparation Of Antitumor Drugs
参考文献:China]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Dicyclohexylamine,Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium; 14 H,80 °C1.2 Catalysts: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 3 H,Rt
标题:Preparation Of Indan Derivatives As Protein Kinase Inhibitors
参考文献:China]

2445521-09-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 3 H,0.4 Mpa,20 - 25 °C
标题:Preparation Of Ponatinib Intermediate 3-Ethynylimidazo[1,2-B]Pyridazine
参考文献:China]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
标题:Aryl Or Heteroaryl Derivative,And Pharmaceutical Composition Comprising Same As Active Ingredient For Treatment Of Kinase-Related Disease
参考文献:World Intellectual Property Organization]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
标题:Preparation Of N-(3-(Imidazo[1,2-B]Pyridazin-3-Ylethynyl)-4-Methylphenyl)-5-Phenyl-4,5-Dihydro-1H-Pyrazole-1-Carboxamide And Related Compound As Kinase Inhibitor
参考文献:World Intellectual Property Organization]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Cuprous Iodide,Palladium,Bis(Acetonitrile)Dichloro- Solvents: Acetonitrile; Overnight,80 °C1.2 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
标题:Accelerated Discovery Of Novel Ponatinib Analogs With Improved Properties For The Treatment Of Parkinson'S Disease
作者:Kaiser,Thomas M.; Dentmon,Zackery W.; Dalloul,Christopher E.; Sharma,Savita K.; Liotta,Dennis C.
参考文献:Acs Medicinal Chemistry Letters 日期:2020 卷标:11(4) 页码:491-496]

943320-60-3 = 943320-61-4
反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 30 Min,Rt
标题:Synthesis Of Antineoplastic Agent Ponatinib
作者:Xie,Ning; Li,Yan-Yang; Zhao,Yan-Jin; Li,Shu-Xin
参考文献:Zhongguo Xinyao Zazhi 日期:2013 卷标:22(22) 页码:2688-2691]

1066-54-2 + 18087-73-5 = 943320-61-4
反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Acetonitrile; 24 H,Rt -> 100 °C; 100 °C -> Rt1.2 Reagents: Potassium Carbonate Solvents: Methanol; 4 H,Rt
标题:Design And Synthesis Of Bcr-Abl Inhibitors With Improved Cardiac Safety For The Treatment Of Cancer,Particularly Chronic Myeloid Leukemias,And Neurodegenerative Disorders
参考文献:World Intellectual Property Organization

咪唑[1,2-B]并哒嗪置于n-溴代丁二酰亚胺(Nbs),偶氮二异丁腈,Potassium Carbonate,Potassium Iodide体系中,用 N,N-二甲基甲酰胺作为反应溶剂,20.0~120.0 °C,400.01 Kpa 条件下,反应 15.0H,反应生成 3-乙炔咪唑并[1,2-B]吡嗪
参考文献:一种泊那替尼中间体3-乙炔基咪唑并[1,2-B] 哒嗪的合成方法
标题:一种泊那替尼中间体3-乙炔基咪唑并[1,2-B] 哒嗪的合成方法
摘要:本发明公开了一种泊那替尼中间体3‑乙炔基咪唑并[1,2‑b]哒嗪的合成方法.该合成方法采用3‑哒嗉酮与2‑氯乙胺酸盐在碱性条件下合成化合物ⅰ,化合物ⅰ与nbs反应反应生成化合物ⅱ,化合物ⅱ与对甲苯磺酸钠反应生成活性酯化物ⅲ,最后化合物ⅲ在非质子性溶剂中通入乙炔气体进行反应得到3‑乙炔基咪唑并[1,2‑b]哒嗪.该方法的操作步骤简单,而且原料便宜易得,较适合反应生成型企业的放大生产.

海关参考信息

2901292000-乙炔
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专利信息

专利号:WO-2021038419-A1
优先权日:2019-08-23
标题 :Kinase inhibitors and methods of synthesis and treatment
发明人：ZAVORONKOVS ALEKSANDRS; IVANENKOV YAN; POLYKOVSKIY DANIIL; ALIPER ALEKSANDR
权利人:INSILICO MEDICINE IP LTD
摘要:Compounds that function as kinase inhibitors are provided. The kinase inhibitors can have any structure of the formulae provided herein, such as shown for Compounds 1-4. A pharmaceutical composition can include: the compound of one of the embodiments; and a pharmaceutically acceptable carrier having the compound. A method of inhibiting a kinase can include: providing the compound of one of the embodiments described herein to the kinase such that the kinase is inhibited. The methods can include inhibiting DDR1 and/or DDR2, and thereby providing a modulation or decrease in the activity of DDR1 and/or DDR2. This decrease in DDR1 and/or DDR2 activity can be used as therapy to treat conditions related to DDR1 and/or DDR2 activity, such as fibrosis, cancer, and others.