2-(6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropionitrile | 263401-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并哒嗪类
• 英文名称: 2-(6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropionitrile
• 英文别名: 2-[6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropionitrile；2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropanenitrile
• CAS: 263401-64-5
• 化学式: C₉H₈ClN₅
• 分子量: 221.649
• InChiKey: YTBCUISGTIMTQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropionitrile 、 4-(diphenylmethoxy)-1-piperidinepropanol 在 盐酸 、 乙酸酐 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 乙酸乙酯 为溶剂， 生成 2-[6-[3-[4-(Diphenylmethoxy)piperidino]propoxy][1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropionitrile Hydrochloride
  参考文献：
  名称：

  Condensed pyridazine compounds, their production and use

  摘要：

  一种浓缩的吡啶嗪衍生物，具有抗过敏活性、抗组胺活性和/或抑制嗜酸性粒细胞趋化活性、抗炎活性、抗PAF（血小板活化因子）活性等，可用作预防或治疗哮喘、过敏性结膜炎、过敏性鼻炎、荨麻疹、特应性皮炎等的药物。

  公开号：

  US06610694B1

文献信息

• FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1120418A1

  公开（公告）日：2001-08-01

  A compound represented by the formula: wherein Ring A is a ring represented by the formula: (wherein R1a is a hydrogen atom, a halogen atom, a hydrocarbon group optionally having a substituent, an acyl group or a hydroxy group having a substituent; R1b is a hydrogen atom, a halogen atom, a hydrocarbon group optionally having a substituent, an acyl group or a hydroxy group optionally having a substituent); Ar1 and Ar2 are independently an aromatic group optionally having a substituent, and may form a condensed ring group with an adjacent carbon atom; Ring B is a nitrogen-containing heterocycle optionally having a substituent; X and Y, whether identical or not, are a bond, an oxygen atom, S(O)p (p is an integer from 0 to 2), NR4 wherein R4 is a hydrogen atom or a lower alkyl group, or a divalent linear lower hydrocarbon group which may have a substituent, and which may contain 1 to 3 hetero atoms; R2 and R3, whether identical or not, are a hydrogen atom, a halogen atom, a hydrocarbon group optionally having a substituent, an acyl group or a hydroxy group optionally having a substituent; R7 is a hydrogen atom, a hydroxy group which may be substituted by lower alkyl or a carboxyl group; provided that Ring B is not a heterocycle represented by the formula: wherein r is 0 or 1, or a salt thereof, or a pro-drug thereof exhibits anti-allergic activity, anti-histaminic activity and/or eosinophil chemotaxis-inhibiting activity, anti-inflammatory activity, anti-PAF (platelet-activating factor) activity, and the like, and is useful as an agent for preventing or treating asthma, allergic conjunctivitis allergic rhinitis, urticaria, atopic dermatitis, and the like.

  式所代表的化合物： 其中环 A 是由式表示的环： (其中 R1a 是氢原子、卤素原子、任选具有取代基的烃基、酰基或具有取代基的羟基；R1b 是氢原子、卤素原子、任选具有取代基的烃基、酰基或任选具有取代基的羟基）；Ar1 和 Ar2 独立地是任选具有取代基的芳香基，可与相邻碳原子形成缩合环基；环 B 是任选具有取代基的含氮杂环；X 和 Y（无论是否相同）为键、氧原子、S(O)p（p 为 0 至 2 的整数）、NR4（其中 R4 为氢原子或低级烷基）或二价线性低级烃基，该低级烃基可能具有取代基，且可能含有 1 至 3 个杂质原子；R2 和 R3（无论是否相同）是氢原子、卤素原子、可选择具有取代基的烃基、酰基或可选择具有取代基的羟基； R7 是氢原子、可被低级烷基取代的羟基或羧基；条件是环 B 不是由式表示的杂环： 其中 r 为 0 或 1，或其盐或其原药具有抗过敏活性、抗组胺活性和/或抑制嗜酸性粒细胞趋化活性、抗炎活性、抗血小板活化因子（PAF）活性等，可用作预防或治疗哮喘、过敏性结膜炎、过敏性鼻炎、荨麻疹、特应性皮炎等的药物。
• US6610694B1
  申请人：——

  公开号：US6610694B1

  公开（公告）日：2003-08-26
• Condensed pyridazine compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06610694B1

  公开（公告）日：2003-08-26

  A condensed pyridazine derivative which exhibits anti-allergic activity, anti-histaminic activity and/or eosinophil chemotaxis-inhibiting activity, anti-inflammatory activity, anti-PAF (platelet-activating factor) activity, and the like, and is useful as an agent for preventing or treating asthma, allergic conjunctivitis, allergic rhinitis, urticaria, atopic dermatitis, and the like.

  一种浓缩的吡啶嗪衍生物，具有抗过敏活性、抗组胺活性和/或抑制嗜酸性粒细胞趋化活性、抗炎活性、抗PAF（血小板活化因子）活性等，可用作预防或治疗哮喘、过敏性结膜炎、过敏性鼻炎、荨麻疹、特应性皮炎等的药物。