Ro 65-7199 | 350800-83-8

• 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: Ro 65-7199
• 英文别名: 4-amino-N-(6-bromo-1H-indol-4-yl)benzenesulfonamide；4-amino-N-(6-bromo-1H-indol-4-yl)-benzenesulfonamide
• CAS: 350800-83-8
• 化学式: C₁₄H₁₂BrN₃O₂S
• 分子量: 366.238
• InChiKey: YHVWNYYEHCSBQK-UHFFFAOYSA-N

物化性质

• 沸点：
  597.7±60.0 °C(Predicted)
• 密度：
  1.748±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ro 65-7199 生成 4-amino-N-{6-[7-(2,2-dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1H-indol-4-yl}-benzenesulfonamide
  参考文献：
  名称：

  Pyrrolopyrazine kinase inhibitors

  摘要：

  本发明涉及使用新型吡咯吡嗪衍生物（化学式I中的）Q1和R变量的定义如本文所述，其抑制JAK和SYK并且适用于治疗自身免疫和炎症性疾病。

  公开号：

  US20090215724A1
• 作为产物：
  描述：

  3,5-二硝基-4-甲基苯甲酸 在 吡啶 、 sodium hydroxide 、 titanium(III) chloride 、 溴 、 mercury(II) oxide 作用下， 以 盐酸 、 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 Ro 65-7199
  参考文献：
  名称：

  5-HT6 receptor antagonists: lead optimisation and biological evaluation of N-aryl and N-heteroaryl 4-amino-benzene sulfonamides

  摘要：

  RO-04-6790 (6a) has been identified in a random screen for 5-HT6 receptor antagonists. In a medicinal chemistry optimisation program a series of analogs comprising N-heteroaryl- and N-arylbenzenesulfonamides have been synthesised and investigated for their binding affinity. Compounds with a log D profile indicative of brain penetration have been subjected to in vivo testing for reversal of a scopolamine-induced retention deficit in a passive avoidance paradigm. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)01209-5

文献信息

• Biomarkers and expression profiles for toxicology
  申请人：Boess Franziska

  公开号：US20060078921A1

  公开（公告）日：2006-04-13

  The present invention is based on the determination of the global changes in gene expression in tissues or cells exposed to known toxins, in particular hepatotoxins, as compared to unexposed tissues or cells as well as the identification of individual genes that are differentially expressed upon toxin exposure. The invention includes methods of predicting at least one toxic effect of a compound, predicting the progression of a toxic effect of a compound, and predicting the hepatoxicity of a compound. Also provided are methods of predicting the mechanism of toxicity of a compound. In a further aspect, the invention provides probes comprising sequences that specifically hybridize to genes in Table 3 as well as solid supports comprising at least two of the said probes.

  本发明的基础是确定暴露于已知毒素（特别是肝毒素）的组织或细胞与未暴露的组织或细胞相比基因表达的总体变化，以及鉴定暴露于毒素时表达不同的单个基因。本发明包括预测化合物的至少一种毒性效应、预测化合物毒性效应的进展以及预测化合物肝毒性的方法。还提供了预测化合物毒性机制的方法。在另一个方面，本发明提供了包含与表 3 中的基因特异性杂交的序列的探针以及包含至少两种所述探针的固体支持物。
• PYRROLOPYRAZINE KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2247595A1

  公开（公告）日：2010-11-10
• USE OF 5-HT6 ANTAGONISTS TO PREVENT RELAPSE INTO ADDICTION
  申请人：De Bruin Natasja M.W.J.

  公开号：US20080171779A1

  公开（公告）日：2008-07-17

  A novel use of compounds and pharmaceutically acceptable salts thereof, which are 5-HT 6 antagonists, are disclosed. In one embodiment, the invention relates to the use of these compounds or pharmaceutical compositions comprising these compounds for preventing relapse into addiction, for example, relapse into addiction to substances of abuse, including opiates, hallucinogens, inhalants, phencyclidine, amphetamines, cocaine, cannabis, nicotine, and alcohol, relapse into addiction to certain medicines, including sedatives, hypnotics and anxiolytics, and relapse into certain addictive behaviors, including gambling.
• US7932254B2
  申请人：——

  公开号：US7932254B2

  公开（公告）日：2011-04-26
• [EN] PYRROLOPYRAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE PYRROLOPYRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009106445A1

  公开（公告）日：2009-09-03

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula (I), wherein the variables Q1 and R are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.