3-氯-2-[(4-甲基苯基)硫代]苯胺 | 199803-23-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 3-氯-2-[(4-甲基苯基)硫代]苯胺
• 英文名称: 3-Chloro-2-[(4-methylphenyl)thio]aniline
• 英文别名: 3-chloro-2-(4-methylphenyl)sulfanylaniline
• CAS: 199803-23-1
• 化学式: C₁₃H₁₂ClNS
• mdl: MFCD00126509
• 分子量: 249.76
• InChiKey: SNUKATAODXKQMW-UHFFFAOYSA-N

物化性质

• 沸点：
  351.8±37.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-氯-2-[(4-甲基苯基)硫代]苯胺 、 sodium nitrite 、 氯化亚锡 、 盐酸 以 水 为溶剂， 生成 1-(3-chloro-2-(p-tolylthio)phenyl)hydrazine hydrochloride
  参考文献：
  名称：

  Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists

  摘要：

  本申请描述了化合物，包括所有药学上可接受的盐、前药、溶剂合物和立体异构体，公式如下（I），制备至少一种公式（I）化合物的制药组合物，并可选地包括至少一种额外的治疗剂，以及使用公式（I）化合物治疗与调节血清素受体相关的各种疾病、病症和障碍的方法，例如：代谢疾病，包括但不限于肥胖症、糖尿病、糖尿病并发症、动脉粥样硬化、糖耐量受损和血脂异常；中枢神经系统疾病，包括但不限于焦虑症、抑郁症、强迫症、惊恐障碍、精神病、精神分裂症、睡眠障碍、性功能障碍和社交恐惧症；头痛；偏头痛；以及使用公式（I）化合物治疗胃肠疾病。

  公开号：

  US20070027178A1

文献信息

• INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF
  申请人：ICOS CORPORATION

  公开号：EP1165504A2

  公开（公告）日：2002-01-02
• SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1910361A2

  公开（公告）日：2008-04-16
• JP2002541141A
  申请人：——

  公开号：JP2002541141A

  公开（公告）日：2002-12-03
• [EN] INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF<br/>[FR] INHIBITEURS DE LA LIAISON DE LFA-1 A DES ICAMS ICAMS ET LIEURS UTILISATIONS
  申请人：ICOS CORP

  公开号：WO2000059878A2

  公开（公告）日：2000-10-12

  The present invention is directed to compounds that bind to a novel regulatory site in the I domain of LFA-1, and thereby inhibit LFA-1 binding to ICAMs that bind LFA-1. The present invention therefore also provides methods to regulate leukocyte adhesion to endothelial cells. Compounds of the ivnention are useful for the treatment of pathologies, such as those associated inflammatory diseases, autoimmune diseases, tumor metastasis, allograft rejection and reperfusion injury. In particular, the present invention is directed to diaryl sulfides of general structural formula (I), a pharmaceutically acceptable salt, or prodrug thereof, and to the use of diaryl sulfides, and particularly compounds of formula (I), to inhibit LFA-1 binding to an ICAM that binds LFA-1 wherein A and B, independently, are aryl groups selected from the group consisting of 5- and 6-membered aromatic rings, including, but not limited to, phenyl, thienyl, furyl, pyrimidinyl, imidazolyl, pyrazolyl, pyridyl, pyrazinyl, pyrrolyl, and pyridazinyl.
• [EN] SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS<br/>[FR] TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES SUBSTITUÉS EN TANT QU'AGONISTES ET ANTAGONISTES DU RÉCEPTEUR DE SÉROTONINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2007016353A2

  公开（公告）日：2007-02-08

  [EN] The present application describes compounds, including all pharmaceutically acceptable salts, prodrugs, solvates and stereoisomers thereof, according to Formula I, pharmaceutical compositions, comprising at least one compound according to Formula I and optionally at least one additional therapeutic agent and methods of treating various diseases, conditions and disorders associated with modulation of serotonin receptors such as, for example: metabolic diseases, which includes but is not limited to obesity, diabetes, diabetic complications, atherosclerosis, impared glucose tolerance and dyslipidemia; central nervous system diseases which includes but is not limited to, anxiety, depression, obsessive compulsive disorder, panic disorder, psychosis, schizophrenia, sleep disorder, sexual disorder and social phobias; cephalic pain; migraine; and gastrointestinal disorders using compounds according to Formula I
  [FR] La présente invention concerne des composés, notamment la totalité des sels pharmaceutiquement acceptables, des promédicaments, des solvat et des stéréoisomères de ceux-ci, selon la Formule I, les compositions pharmaceutiques, comprenant au moins un composé selon la Formule I et facultativement au moins un agent thérapeutique supplémentaire ainsi que les procédés de traitement de diverses maladies et troubles associés à la modulation des récepteurs de sérotonine tels que, par exemple : les maladies métaboliques, ce qui inclut mais sans s'y limiter l'obésité, le diabète, les complications diabétiques, l'athérosclérose, la diminution de la tolérance au glucose et la dyslipidémie ; les maladies du système nerveux central, ce qui inclut mais sans s'y limiter, l'anxiété, la dépression, les troubles obsessionnels compulsifs, la panique, la psychose, la schizophrénie, les troubles du sommeil, les troubles sexuels et les phobies sociales ; les céphalées ; la migraine ainsi que les troubles gastro-intestinaux en utilisant les composés selon la Formule I.