(1,2,3,4-Tetrahydro-1-oxo-2-naphthalenylidene)-acetic acid | 308339-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (1,2,3,4-Tetrahydro-1-oxo-2-naphthalenylidene)-acetic acid
• 英文别名: 1,2,3,4-tetrahydro-1-oxo-2-naphthylideneacetic acid；(2Z)-2-(1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
• CAS: 308339-67-5
• 化学式: C₁₂H₁₀O₃
• 分子量: 202.21
• InChiKey: XUCFJOMJARRPNH-CLFYSBASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1,2,3,4-Tetrahydro-1-oxo-2-naphthalenylidene)-acetic acid 在 一水合肼 作用下， 以 正丁醇 为溶剂， 生成 2,3,5,6-Tetrahydrobenzo[h]cinnolin-3-one
  参考文献：
  名称：

  Discovery of a 3-Amino-6-phenyl-pyridazine Derivative as a New Synthetic Antineuroinflammatory Compound

  摘要：

  Excessive glial activation, with overproduction of cytokines and oxidative stress products, is detrimental and a hallmark of neurodegenerative disease pathology. Suppression of glial activation is a potential therapeutic approach, and protein kinases are targets of some antiinflammatory drugs. To address an unmet need for selective inhibitors of glial activation, we developed a novel 3-amino-6-phenylpyridazine derivative that selectively blocks increased IL-1beta, iNOS, and NO production by activated glia, without inhibition of potentially beneficial glial functions.

  DOI：

  10.1021/jm015573g
• 作为产物：
  描述：

  3,4-二氢-1(2H)-萘酮 生成 (1,2,3,4-Tetrahydro-1-oxo-2-naphthalenylidene)-acetic acid
  参考文献：
  名称：

  Arthropodicidal fused tetrahydropyridazines

  摘要：

  公式I和II的节肢动物杀虫四氢吡啶衍生物，其中Q，X，X.sup.1 Y和G如文本所定义，包含它们的组合物以及它们在节肢动物控制中的使用。

  公开号：

  US05380718A1

文献信息

• Structures and Reactivities of 1-Oxo-cycloalkan-2-ylideneacetic Acids. A 1H NMR, Modelling and Photochemical Study
  作者：Stefano Ghelli、M Paola Costi、Lucio Toma、Daniela Barlocco、Glauco Ponterini

  DOI：10.1016/s0040-4020(00)00662-1

  日期：2000.9

  tendency to form tricyclic lactones with increasing size of the aliphatic ring. A theoretical structural analysis of the E and Z isomers, the tricyclic lactones and some of the hypothetical intermediates of the reaction with hydrazine suggests the size of the aliphatic ring and the associated flexibility to be crucial in modulating the ability of these compounds to form tricyclic products.

  在脂肪族环的大小和缩合的不饱和环的性质上不同的四种1-氧代-环烷烃基-2-亚烷基乙酸对肼具有不同的反应性，仅在一种情况下导致所需的三环吡啶并哒嗪酮。观察到的行为差异不能归因于四种酸的环外双键的不同构型：1 H NMR实验结合UV光解表明，所有化合物均以E形式制备，并且在不存在E的情况下稳定。灯和催化剂。光化学获得的Z异构体显示出随着脂肪族环的尺寸增加而形成三环内酯的趋势增加。E和E的理论结构分析Z异构体，三环内酯和与肼反应的一些假设中间体表明，脂族环的大小和相关的柔韧性对于调节这些化合物形成三环产物的能力至关重要。
• Benzo[h]cinnoline compound, a method of preparing said compound and a
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US04782057A1

  公开（公告）日：1988-11-01

  A benzo[h]cinnoline compound of the formula: ##STR1## wherein each of X and Y is hydrogen, halogen, trifluoromethyl, hydroxy, alkyl having 1 to 4 carbon atoms, alkoxy having 1 to 4 carbon atoms, amino, alkanoylamido having 2 to 4 carbon atoms, nitro, cyano, alkanoyl having 2 to 4 carbon atoms; Ar is phenyl or pyridyl which may be optionally substituted by at least one substituent selected from the group consisting of halogen, trifluoromethyl, hydroxy, alkyl having 1 to 4 carbon atoms, alkoxy having 1 to 4 carbon atoms, amino, alkanoylamido having 2 to 4 carbon atoms, nitro and cyano; and the bond position indicated by dotted line is single bond or double bond, a method of preparing said compound and a pharmaceutical composition containing said compound. Since these compounds possess high affinity for benzodiazepine receptor and antianxiety activity, they are useful as neutralizers to an excess dose of antianxiety agents or as antianxiety agents.

  一种苯并[h]茚啉化合物，其化学式为：##STR1## 其中X和Y分别为氢，卤素，三氟甲基，羟基，具有1至4个碳原子的烷基，具有1至4个碳原子的烷氧基，氨基，具有2至4个碳原子的烷酰胺基，硝基，氰基，具有2至4个碳原子的烷酰基；Ar为苯基或吡啶基，可以选择性地被至少一个取代基取代，所述取代基从卤素，三氟甲基，羟基，具有1至4个碳原子的烷基，具有1至4个碳原子的烷氧基，氨基，具有2至4个碳原子的烷酰胺基，硝基和氰基中选择；虚线所示的键位为单键或双键，制备该化合物的方法以及含有该化合物的制药组合物。由于这些化合物具有高亲和力的苯二氮平受体和抗焦虑活性，它们可用作抗焦虑剂的中和剂或抗焦虑剂。
• PYRIDAZINE COMPOUNDS AND METHODS
  申请人：Watterson Martin

  公开号：US20090029985A1

  公开（公告）日：2009-01-29

  The invention relates to novel chemical compounds, compositions and methods of making and using the same. In particular, the invention provides pyridazine compounds and/or related heterocyclic derivatives, compositions comprising the same, and methods of using pyridazine compounds and/or related heterocyclic derivatives and compositions comprising the same, for modulation of cellular pathways (e.g., signal transduction pathways), for treatment or prevention of inflammatory diseases (e.g., Alzheimer's disease), for research, drug screening, and therapeutic applications.

  本发明涉及新型化学化合物、组合物及其制备和使用的方法。具体而言，本发明提供了吡嗪化合物和/或相关的杂环衍生物，包括这些化合物的组合物，以及使用吡嗪化合物和/或相关的杂环衍生物和组合物的方法，用于调节细胞通路（例如信号转导通路），用于治疗或预防炎症性疾病（例如阿尔茨海默氏病），用于研究、药物筛选和治疗应用。
• BENZO ADh BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0190367A1

  公开（公告）日：1986-08-13

  Benzo[h]cinnoline compounds represented by general formula (I) wherein X and Y each represents hydrogen, halogen, trifluoromethyl, hydroxy, C1-4 alkyl, C1-4alkoxy, amino, C2-4 alkanoylamido, nitro, cyano, or C2-4 alkanoyl, Ar represents phenyl or pyridyl optionally having at least one of halogen, trifluoromethyl, hydroxy, C1-4 alkyl, C1-4 alkoxy, amino, C2-4 alkanoylamido, nitro, and cyano, and dotted line represents a single or double bond), a process for their preparation, and a medicinal composition containing them. These compounds possess a strong affinity for benzodiazepine receptor and an anti-anxiety effect and are therefore useful for neutralizing excess administration anti-anxiety agents or as an anti-anxiety agent itself.

  由通式(I)代表的苯并[h]噌啉化合物 其中 X 和 Y 分别代表氢、卤素、三氟甲基、羟基、C1-4 烷基、C1-4 烷氧基、氨基、C2-4 烷酰氨基、硝基、氰基或 C2-4 烷酰基，Ar 代表苯基或吡啶基，任选地具有卤素、三氟甲基、羟基、C1-4 烷基、C1-4 烷氧基、氨基、C2-4 烷酰氨基、硝基和氰基中的至少一种，虚线代表单键或双键）、三氟甲基、羟基、C1-4 烷基、C1-4 烷氧基、氨基、C2-4 烷酰基氨基、硝基和氰基，虚线代表单键或双键）、其制备方法以及含有它们的药物组合物。这些化合物对苯二氮卓受体有很强的亲和力，并具有抗焦虑作用，因此可用于中和过量服用的抗焦虑剂或作为抗焦虑剂本身。
• WO2006/50359
  申请人：——

  公开号：——

  公开（公告）日：——