3-tert-butyl-6-chloro[1,2,4]triazolo[4,3-b]pyridazine | 263401-62-3

• 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: 3-tert-butyl-6-chloro[1,2,4]triazolo[4,3-b]pyridazine
• 英文别名: 3-Tert-butyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
• CAS: 263401-62-3
• 化学式: C₉H₁₁ClN₄
• mdl: MFCD11103591
• 分子量: 210.666
• InChiKey: OIAUBHCLFFRPGV-UHFFFAOYSA-N

物化性质

• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-6-chloro[1,2,4]triazolo[4,3-b]pyridazine 、 4-(diphenylmethoxy)-1-piperidinepropanol 在 乙酸酐 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 3-tert-butyl-6-[3-[4-(diphenylmethoxy)piperidino]propoxy][1,2,4]triazolo[4,3-b]pyridazine
  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
• 作为产物：
  描述：

  N'-(6-chloro-3-pyridazinyl)-2,2-dimethylpropionohydrazide 在 乙酸乙酯 、 正己烷 作用下， 以 乙酸乙酯 为溶剂， 反应 0.17h， 以to yield 2.38 g of the title compound的产率得到3-tert-butyl-6-chloro[1,2,4]triazolo[4,3-b]pyridazine
  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、特应性皮炎等药物。

  公开号：

  US06610694B1

文献信息

• Jnk inhibitors
  申请人：——

  公开号：US20040254189A1

  公开（公告）日：2004-12-16

  A c-Jun N-terminal kinase activation inhibitor which comprises a compound represented by the formula: 1 wherein each of Ar a and Ar b is an aromatic group optionally having substituents, Ar a and Ar b optionally form a condensed cyclic group together with the adjacent carbon atom; ring B a is a nitrogen-containing heterocycle optionally having substituents; X a and Y a are the same or different and each is (1) a bond, (2) an oxygen atom, (3) S(O) p (wherein p is an integer of 0 to 2), (4) NR d (wherein R d is a hydrogen atom or a lower alkyl group) or (5) a divalent linear lower hydrocarbon group optionally having substituents and containing 1 to 3 hetero atom(s); ring A a is a 5-membered ring optionally having substituents; R a and R b are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a hydrocarbon group optionally having substituents, (4) an acyl group or (5) a hydroxy group optionally having a substituent; R c is (1) a hydrogen atom, (2) a hydroxy group optionally substituted by a lower alkyl group or (3) a carboxyl group or a salt thereof, or a prodrug thereof.

  一种c-Jun N-末端激酶激活抑制剂，包括一种由下式表示的化合物： 其中，Ara和Arb各自是芳香基团，可以有取代基；Ara和Arb可以与相邻的碳原子一起形成含有氮的杂环；环Ba是含氮的杂环，可以有取代基；Xa和Ya相同或不同，分别是（1）键，（2）氧原子，（3）S（O）p（其中p是0到2的整数），（4）NRd（其中Rd是氢原子或较低的烷基），或（5）二价线性较低的含有取代基并且含有1到3个杂原子的烃基；环Aa是一个5元环，可以有取代基；Ra和Rb相同或不同，分别是（1）氢原子，（2）卤原子，（3）含有取代基的烃基，（4）酰基，或（5）含有取代基的羟基；Rc是（1）氢原子，（2）羟基，可以经过较低的烷基取代，或（3）羧基或其盐，或其前药。
• 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。
• JNK INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1426050A1

  公开（公告）日：2004-06-09

  A c-Jun N-terminal kinase activation inhibitor which comprises a compound represented by the formula: wherein each of Ara and Arb is an aromatic group optionally having substituents, Ara and Arb optionally form a condensed cyclic group together with the adjacent carbon atom; ring Ba is a nitrogen-containing heterocycle optionally having substituents; Xa and Ya are the same or different and each is (1) a bond, (2) an oxygen atom, (3) S(O)p (wherein p is an integer of 0 to 2) , (4) NRd (wherein Rd is a hydrogen atom or a lower alkyl group) or (5) a divalent linear lower hydrocarbon group optionally having substituents and containing 1 to 3 hetero atom(s); ring Aa is a 5-membered ring optionally having substituents; Ra and Rb are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a hydrocarbon group optionally having substituents, (4) an acyl group or (5) a hydroxy group optionally having a substituent; Rc is (1) a hydrogen atom, (2) a hydroxy group optionally substituted by a lower alkyl group or (3) a carboxyl group or a salt thereof, or a prodrug thereof.

  一种c-Jun N-末端激酶活化抑制剂，它包括由式表示的化合物： 其中Ara和Arb各自是可选具有取代基的芳香基团，Ara和Arb可选与相邻碳原子一起形成缩合环基；环Ba是可选具有取代基的含氮杂环；Xa和Ya相同或不同，各自为(1)键，(2)氧原子，(3)S(O)p(其中p为0至2的整数)，(4)NRd(其中Rd为氢原子或低级烷基)或(5)二价线性低级烃基，可选择具有取代基并含有1至3个杂原子；环 Aa 是可选具有取代基的 5 元环；Ra 和 Rb 相同或不同，且各自是(1)氢原子，(2)卤素原子，(3)可选具有取代基的烃基，(4)酰基或(5)可选具有取代基的羟基；Rc 是(1)氢原子，(2)可选被低级烷基取代的羟基或(3)羧基或其盐或其原药。
• 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。