Phenyltrimethylammonium bromide dibromide

• 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: Phenyltrimethylammonium bromide dibromide
• 英文别名: trimethyl(phenyl)azanium;tribromide
• 化学式: C27H42Br3N3
• 分子量: 648.4
• InChiKey: KNRQKQMCUXJVDY-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.34
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-氯-1H-苯并[b]噻吩-2-基)乙酮 、 Phenyltrimethylammonium bromide dibromide 在 氮气 、 水 、 二氯甲烷 、 magnesium sulfate 、 silica 作用下， 以 四氢呋喃 为溶剂， 反应 22.5h， 以to leave 2-bromo-1-(4-chlorobenzo[b]thiophen-2-yl]ethan-1-one (1.65 g) as an off-white solid, m.p. 116-118° C.的产率得到2-bromo-1-(4-chlorobenzo[b]thiophen-2-yl)ethan-1-one
  参考文献：
  名称：

  Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents

  摘要：

  本发明涉及某些新型取代二氢咪唑并[2,1-b]噻唑和二氢-5H-噻唑[3,2-a]嘧啶化合物，其包括其药学上可接受的盐，具有亲和力5-HT1Areceptor并抑制5-羟色胺和/或去甲肾上腺素的神经再摄取，以及其制备过程，包含它们的制药组合物，以及在治疗抑郁症、焦虑症、精神病（例如精神分裂症）、迟发性运动障碍、肥胖症、药物成瘾、药物滥用、认知障碍、阿尔茨海默病、强迫症行为、惊恐发作、社交恐惧症、进食障碍（如暴食症、厌食症、零食和暴饮暴食）、非胰岛素依赖性糖尿病、高血糖、高脂血症、压力、作为戒烟的辅助措施以及在治疗和/或预防癫痫、神经系统疾病（如癫痫）和/或有神经损伤（如中风、脑外伤、脑缺血、头部损伤和出血）中的用途。

  公开号：

  US20030166628A1
• 作为试剂：
  描述：

  N-[3-acetyl-5-(pentafluorosulfanyl)phenyl]-2,2,2-trifluoro-N-methylacetamide 、 Phenyltrimethylammonium bromide dibromide 、 硫酸 在 Phenyltrimethylammonium bromide dibromide 乙酸乙酯 、 magnesium sulfate 作用下， 以 甲醇 、 四氢呋喃 为溶剂， 反应 23.17h， 以1.2 g of the title compound were obtained的产率得到N-[3-(2-bromoacetyl)-5-(pentafluorosulfanyl)phenyl]-2,2,2-trifluoro-N-methyl-acetamide
  参考文献：
  名称：

  IMIDAZOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS

  摘要：

  本发明涉及一种新的化合物，其化学式为I，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、Q1、Q2和Q3的定义如下。化合物I具有抗血栓活性，特别是抑制蛋白酶激活受体1（PAR1）。本发明还涉及一种制备化合物I的方法以及将其用作药物的用途。

  公开号：

  US20110034456A1

文献信息

• Antifungal agents
  申请人：Greenlee Mark L.

  公开号：US20100113439A1

  公开（公告）日：2010-05-06

  Novel derivatives of enfumafungin are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antifungal agents and/or inhibitors of (1,3)-β-D-glucan synthase. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating and/or preventing fungal infections and associated diseases and conditions.

  本文披露了恩福马富金的新型衍生物，以及它们的药用盐、水合物和前药。还公开了包含这些化合物的组合物、制备这些化合物的方法以及将这些化合物用作抗真菌剂和/或(1,3)-β-D-葡聚糖合酶抑制剂的方法。这些公开的化合物、它们的药用盐、水合物和前药，以及包含这些化合物、盐、水合物和前药的组合物，可用于治疗和/或预防真菌感染及相关疾病和病况。
• Nf-kb activation inhibitors
  申请人：Muto Susumu

  公开号：US20060089395A1

  公开（公告）日：2006-04-27

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  一种药物具有抑制NF-κB活化作用，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基或单环或融合的多环杂环芳基，其可以被取代，但在所述杂环芳基是圆圈(1)}在公式(I)中直接结合—CONH—基团的环为苯环的融合多环杂环芳基，圆圈(2)}未取代的噻唑-2-基团，或者圆圈(3)}未取代的苯并噻唑-2-基团时，不包括该化合物，环Z代表一个芳香烃，除了由公式—O-A所表示的基团外，它也可以有一个或多个取代基，其中A具有与上述定义相同的含义，公式—CONH-E所表示的基团E具有与上述定义相同的含义。
• Bicyclic alkoxy- and alkylthio-substituted aminoalcohols
  申请人：Maggioni-Winthrop S.p.A.

  公开号：US04902799A1

  公开（公告）日：1990-02-20

  Novel bicyclic alkoxy- and alkylthio-substituted aminoalcohols of formula (I). The compounds show anti-hypertensive, platelet aggregation inhibiting, hypolipemic, antianoxic, spasmolytic, antithrombotic, calcium antagonizing and neuroleptic activity.

  化合物的分子式为（I），是新型的双环氧基和烷基硫基取代的氨基醇。这些化合物具有降压、抑制血小板聚集、降脂、抗缺氧、解痉、抗血栓、钙拮抗和神经类药物活性。
• Catechol derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US05389653A1

  公开（公告）日：1995-02-14

  Catechol derivatives of the formula ##STR1## wherein Ra, Rb and Rc have the significance given herein, the ester and ether derivatives thereof which are hydrolyzable under physiological conditions and the pharmaceutically acceptable salts thereof are described and possess valuable pharmacological properties. In particular, they inhibit the enzyme catechol-O-methyltransferase (COMT), a soluble, magnesium-dependent enzyme which catalyses the transference of the methyl group of S-adenosylmethionine to a catechol substrate, whereby the corresponding methyl ethers are formed. Suitable substrates which can be O-methylated by COMT and which can thus be deactivated are, for example, extraneuronal catecholamines and exogeneously-administered therapeutically active substances having a catechol structure. Formula Ia above embraces not only compounds which form part of the invention, but also known compounds; the compounds which form part of the invention can be prepared according to known methods.

  本文描述了公式##STR1##中Ra、Rb和Rc具有所述含义的邻二酚衍生物，以及在生理条件下可水解的酯和醚衍生物和其药学上可接受的盐，具有有价值的药理特性。特别地，它们抑制酶邻二酚-O-甲基转移酶(COMT)，这是一种可溶性、依赖于镁的酶，催化S-腺苷甲硫氨酸的甲基转移到邻二酚底物上，从而形成相应的甲基醚。适合成为COMT的O-甲基化底物的有，例如，细胞外邻二胺和外源性给药的具有邻二酚结构的治疗活性物质。公式Ia不仅包括本发明的化合物，还包括已知的化合物；本发明的化合物可以按照已知的方法制备。
• Inhibitors against the activation of ap-1 and nfat
  申请人：Muto Susumu

  公开号：US20060100257A1

  公开（公告）日：2006-05-11

  A medicament inhibiting the activation of AP-1 which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种药物，抑制AP-1的激活，其活性成分为以下通式（I）所表示的化合物或其药学上可接受的盐、水合物或溶剂化物中所选的一种，其中X代表连接基，其主链中的原子数为2至5（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂芳基，环Z代表芳烃，除了由式—O-A所表示的基团外，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义，或者是一个杂芳烃，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义。