6-[3-[4-(diphenylmethoxy)piperidino]propylamino][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | 263402-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-[3-[4-(diphenylmethoxy)piperidino]propylamino][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
• 英文别名: 6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
• CAS: 263402-18-2
• 化学式: C₂₆H₃₀N₆O₂
• 分子量: 458.563
• InChiKey: FHFQCKSYNMHVPL-UHFFFAOYSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[3-[4-(diphenylmethoxy)piperidino]propylamino][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one 、 特戊酸氯甲酯 在 potassium carbonate 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-[3-[4-(Diphenylmethoxy)piperidino]propylamino]-2-(pivaloyloxymethyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
  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：

  6-氯-[1,2,4]噻唑并[4,3-b]吡嗪-3(2H)-酮 、 1-(3-氨基丙基)-4-二苯基甲氧基哌啶 在 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 6-[3-[4-(diphenylmethoxy)piperidino]propylamino][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
  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

• Acid-containing preparations
  申请人：——

  公开号：US20040137052A1

  公开（公告）日：2004-07-15

  This invention provides a preparation comprising blending (1) a compound having the anti-allergy activity, the anti-histamine activity, the anti-inflammatory activity, the anti-PAF activity and/or the eosinophile chemotaxis inhibiting activity (especially, the compound is a basic compound or an amphoteric compound), and (2) an acidic compound as a preparation which is excellent in the digestive tract absorbability and the stability.

  这项发明提供了一种制备方法，包括混合(1)具有抗过敏活性、抗组胺活性、抗炎活性、抗PAF活性和/或嗜酸性粒细胞趋化抑制活性（特别是，该化合物是一种碱性化合物或两性化合物），以及(2)一种酸性化合物作为制备方法，该制备在消化道吸收性和稳定性方面表现出色。
• 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