1-(3,4-二氯苯基)-2,2-二甲基-丙-1-酮 | 854891-91-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3,4-二氯苯基)-2,2-二甲基-丙-1-酮
• 英文名称: 3',4'-Dichloro-2,2-dimethylpropiophenone
• 英文别名: 1-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-one
• CAS: 854891-91-1
• 化学式: C₁₁H₁₂Cl₂O
• 分子量: 231.122
• InChiKey: BFSZTHANSPDQNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-(3,4-二氯苯基)-2,2-二甲基-丙-1-酮 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 (+/-)-2,2-dimethyl-1-(3,4-dichlorophenyl)propan-1-ol
  参考文献：
  名称：

  替代效应。22. α-t-丁基苄基甲苯磺酸盐的溶剂分解

  摘要：

  在 80% 的丙酮水溶液 (80A) 和 80% 的乙醇水溶液 (80E) 中测定了甲苯磺酸 α-叔丁基苄基酯的溶剂分解速率，以获得一系列扩展的取代基。根据 Yukawa-Tsuno LArSR 关系，取代基效应可以线性相关，80A 中的 ρ 值分别为 -5.542 和 1.093，80E 中的 ρ 值分别为 -5.650 和 1.106。大的负 ρ 和升高的 r 值表明 kc 机制在没有亲核溶剂辅助和甲基参与的情况下在这种溶剂分解中起作用。从取代基效应的比较来看，在 α-甲基苄基氯的溶剂分解中观察到的 1.15 的升高 r 值可归因于二级苄基系统增强的共振需求特征，而不是由 SN1-SN2 引起的非线性引起的相关伪影机械变化。

  DOI：

  10.1246/bcsj.63.856
• 作为产物：
  描述：

  三甲基乙酰氯 、 3,4-二氯苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium phosphate 作用下， 以 甲苯 为溶剂， 以22%的产率得到1-(3,4-二氯苯基)-2,2-二甲基-丙-1-酮
  参考文献：
  名称：

  Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain

  摘要：

  Herein we report the synthesis and evaluation of a series of thiosemicarbazones as potential inhibitors of cysteine proteases relevant to parasitic diseases. Derivatives of thiosemicarbazone 1 were discovered to be potent inhibitors of cruzain and rhodesain, crucial proteases in the life cycles of Trypanosoma cruzi and T. brucei rhodesiense, the organisms causing Chagas' disease and sleeping sickness. However, the entire series had only modest potency against falcipain-2, an essential protease for Plasmodium falciparum, the organism causing malaria. Among the active inhibitors, several potently inhibited proliferation of cultures of T. brucei. However, only modest activity was observed in inhibition of proliferation of T. cruzi or P. falciparum. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.023

文献信息

• Benzoxazole Derivatives Having Inhibitory Activity Against Interleukin-6, Preparation Method Thereof, and Pharmaceutical Composition Containing the Same
  申请人：Park Choo Hea Young

  公开号：US20130090480A1

  公开（公告）日：2013-04-11

  The present invention relates to benzoxazole derivatives represented by the Formula 1, which has an inhibitory activity against interleukin-6 (IL-6), a method for preparation thereof, and a pharmaceutical composition containing the same. The compound represented by the Formula 1 according to the present invention has a superior inhibitory activity against interleukin-6, and therefore, can be practically applied for prevention and treatment of diseases caused by abnormal interleukin-6 activity.

  本发明涉及由公式1表示的苯并噁唑衍生物，其具有对白细胞介素-6（IL-6）的抑制活性，以及其制备方法和含有该化合物的药物组合物。根据本发明的公式1所表示的化合物具有优越的抑制白细胞介素-6的活性，因此，可以实际应用于预防和治疗由异常白细胞介素-6活性引起的疾病。
• NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Yoshida Tomohiro

  公开号：US20100228026A1

  公开（公告）日：2010-09-09

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effect(s) on various diseases due to its agonist action at AT 2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  该发明提供了一种磺酰基马隆酰胺衍生物，或其药理学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，对各种疾病具有治疗和/或预防作用，并且作为用于治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物剂形具有用处。
• IMMUNOREGULATORY AGENTS
  申请人：Flexus Biosciences, Inc.

  公开号：US20160137653A1

  公开（公告）日：2016-05-19

  Compounds that modulate the oxidoreductase enzyme indoleamine 2,3-dioxygenase, and compositions containing the compounds, are described herein. The use of such compounds and compositions for the treatment and/or prevention of a diverse array of diseases, disorders and conditions, including cancer- and immune-related disorders, that are mediated by indoleamine 2,3-dioxygenase is also provided.

  本文描述了调节氧化还原酶酶indoleamine 2,3-dioxygenase的化合物以及含有这些化合物的组合物。本文还提供了使用这些化合物和组合物治疗和/或预防多种疾病、障碍和病况的方法，包括由indoleamine 2,3-dioxygenase介导的癌症和免疫相关障碍。
• New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof
  申请人：GIST-BROCADES N.V.

  公开号：EP0049913A2

  公开（公告）日：1982-04-21

  The invention relates to new ethenylimidazoles of the formula in which n is 0, 1 or 2, R1 represents a halogen atom, a trifluoromethyl group or an alkyl or alkoxy group with at most 6 carbon atoms, the two substituents being the same or different when n is 2, R2 represents an alkyl group with 1 to 6 carbon atoms, an alkenyl group with 2 to 4 carbon atoms or a cycloalkyl group with 3 to 6 carbon atoms, R3 represents a hydrogen atom, an alkyl group with 1 to 6 carbon atoms or an alkenyl group with 2 to 4 carbon atoms and R4 represents a hydrogen atom, an alkyl group with 1 to 6 carbon atoms or a nitro group, and their acid addition salts. Other features of the invention are - processes for the preparation of compounds of formula I, - pharmaceutical compositions comprising a compound of formula I, - novel phosphine oxides of the formula in which R5 and R6 are the same or different and each represents an unsubstituted or substituted phenyl group and R3 and R4 are as defined above, - a process for the preparation of phosphine oxides of formula XI.

  本发明涉及新的乙烯基咪唑，其式如下 其中 n 为 0、1 或 2，R1 代表卤素原子、三氟甲基或最多 6 个碳原子的烷基或 烷氧基，当 n 为 2 时，两个取代基相同或不同，R2 代表 1 至 6 个碳原子的烷基、2 至 4 个碳原子的烯基或 3 至 6 个碳原子的环烷基，R3 代表氢原子、R3 代表氢原子、1-6 个碳原子的烷基或 2-4 个碳原子的烯基，R4 代表氢原子、1-6 个碳原子的烷基或硝基，以及它们的酸加成盐。 本发明的其他特点是 - 制备式 I 化合物的工艺 - 包含式 I 化合物的药物组合物 - 式 I 的新型膦氧化物 其中 R5 和 R6 相同或不同，各自代表未取代或取代的苯基，R3 和 R4 如上所定义、 - 一种制备式 XI 的膦氧化物的工艺。
• Immunoregulatory agents
  申请人：Flexus Biosciences, Inc.

  公开号：US10206893B2

  公开（公告）日：2019-02-19

  Compounds that modulate the oxidoreductase enzyme indoleamine 2,3-dioxygenase, and compositions containing the compounds, are described herein. The use of such compounds and compositions for the treatment and/or prevention of a diverse array of diseases, disorders and conditions, including cancer- and immune-related disorders, that are mediated by indoleamine 2,3-dioxygenase is also provided.

  本文描述了调节氧化还原酶吲哚胺 2,3-二氧化酶的化合物以及含有这些化合物的组合物。还提供了此类化合物和组合物用于治疗和/或预防由吲哚胺 2,3-二氧化酶介导的各种疾病、失调和病症，包括癌症和免疫相关失调。