6-氯-2-(1,4-氮杂-1-基)-1,3-苯并噻唑 | 348134-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 6-氯-2-(1,4-氮杂-1-基)-1,3-苯并噻唑
• 英文名称: 6-chloro-2-(1,4-diazepan-1-yl)-1,3-benzothiazole
• 英文别名: 6-chloro-2-(1,4-diazepane-1-yl)-1,3-benzothiazole；6-chloro-2-[1,4]diazepan-1-yl-benzothiazole；6-chloro-2-[1.4]diazepan-1-yl-benzothiazole
• CAS: 348134-09-8
• 化学式: C₁₂H₁₄ClN₃S
• 分子量: 267.782
• InChiKey: UZLJYDCBJULBQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  6-氯-2-(1,4-氮杂-1-基)-1,3-苯并噻唑 、 9-(4-溴丁基)-N-(2,2,2-三氟乙基)-9H-芴-9-甲酰胺 生成 9-{4-[4-(6-chloro-benzothiazol-2-yl)-[1.4]diazepan-1-yl]-butyl}-9H-fluorene-9-carboxylic Acid-(2,2,2-trifluoro-ethyl)-amide
  参考文献：
  名称：

  Substituted piperazine derivatives, the preparation thereof and their use as medicaments

  摘要：

  本发明涉及通式如下的取代哌嗪衍生物： 其中Ra、Rb、Rc、Rf、Rg、X、m和n如权利要求1所定义，其异构体和盐，特别是生理上可接受的盐，是微粒体甘油三酯转移蛋白（MTP）有价值的抑制剂，含有这些化合物的药物以及它们的用途，以及它们的制备。

  公开号：

  US06821967B2
• 作为产物：
  描述：

  1,4-二氮杂环庚烷-1-甲酸叔丁酯 在 盐酸 、 sodium hexamethyldisilazane 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 18.0h， 生成 6-氯-2-(1,4-氮杂-1-基)-1,3-苯并噻唑
  参考文献：
  名称：

  Aryl 1,4-diazepane compounds as potent and selective CB2 agonists: Optimization of drug-like properties and target independent parameters

  摘要：

  A high throughput screening campaign identified aryl 1,4-diazepane compounds as potent and selective cannabinoid receptor 2 agonists as compared to cannabinoid receptor 1. This class of compounds suffered from poor drug-like parameters as well as low microsomal stability and poor solubility. Structure-activity relationships are described with a focus on improving the drug-like parameters resulting in compounds with improved solubility and permeability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.068

文献信息

• [EN] DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR<br/>[FR] COMPOSÉS DE DIAZÉPANE QUI MODULENT LE RÉCEPTEUR CB2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009055357A1

  公开（公告）日：2009-04-30

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公开了公式(I)的化合物。根据发明的化合物能够结合并成为CB2受体的激动剂、拮抗剂或反向激动剂，并且用于治疗炎症。其中作为激动剂的化合物还可额外用于治疗疼痛。
• Substituted piperazine derivatives, the preparation thereofand their use as medicaments
  申请人：——

  公开号：US20030166637A1

  公开（公告）日：2003-09-04

  The present invention relates to substituted piperazine derivatives of general formula 1 , (I wherein R a , R b , R c , R f , R g , X, m and n are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物（I），其中Ra、Rb、Rc、Rf、Rg、X、m和n的定义如权利要求书中所述，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体甘油三酯转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的使用，以及其制备。
• [EN] PHTHALAZINONE DERIVATIVES<br/>[FR] DERIVES DE PHTALAZINONE
  申请人：KUDOS PHARM LTD

  公开号：WO2004080976A1

  公开（公告）日：2004-09-23

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NRX or CRXRY; if X NRX then n is 1 or 2 and if X = CRXRY then n is 1; RX is selected from the group consisting of H, optionally substituted C1-20 alkyl, C5-20 aryl, C3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; RY is selected from H, hydroxy, amino; or RX and RY may together form a spiro-C3-7 cycloalkyl or heterocyclyl group; RC1 and RC2 are both hydrogen, or when X is CRX RY, RC1, RC2, RX and RY, together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R1 is selected from H and halo.

  式（I）化合物：其中A和B一起代表一个可选取代的融合芳香环；X可以是NRX或CRXRY；如果X是NRX，则n为1或2，如果X = CRXRY，则n为1；RX从H，可选取代的C1-20烷基，C5-20芳基，C3-20杂环烷基，酰胺，硫酰胺，酯，酰基和磺酰基组中选择；RY从H，羟基，氨基中选择；或RX和RY可以一起形成螺环C3-7环烷基或杂环烷基；RC1和RC2都是氢，或当X是CRXRY时，RC1，RC2，RX和RY，与它们连接的碳原子一起，可以形成一个可选取代的融合芳香环；R1从H和卤素中选择。
• Phthalazinone derivatives
  申请人：Martin Barr Niall Morrison

  公开号：US20050059663A1

  公开（公告）日：2005-03-17

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NR X or CR X R Y ; if X═NR X then n is 1 or 2 and if X═CR X R Y then n is 1; R X is selected from the group consisting of H, optionally substituted C 1-20 alkyl, C 5-20 aryl, C 3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; R Y is selected from H, hydroxy, amino; or R X and R Y may together form a spiro-C 3-7 cycloalkyl or heterocyclyl group; R C1 and R C2 are both hydrogen, or when X is CR X R Y , R C1 , R C2 , R X and R Y , together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R 1 is selected from H and halo.

  式(I)的化合物：其中A和B共同表示可选择地取代的、融合的芳香环；X可以是NRX或CRXRY；如果X═NRX，则n为1或2，如果X═CRXRY，则n为1；RX选自H、可选择取代的C1-20烷基、C5-20芳基、C3-20杂环烷基、酰胺、硫酰胺、酯、酰基和磺酰基基团；RY选自H、羟基、氨基；或者RX和RY可以共同形成螺环C3-7环烷基或杂环烷基；RC1和RC2均为氢，或当X为CRXRY时，RC1、RC2、RX和RY，连同它们连接的碳原子，可以形成可选择地取代的融合的芳香环；R1选自H和卤素。
• Diazepan Orexin Receptor Antagonists
  申请人：Brashear Karen M.

  公开号：US20090124603A1

  公开（公告）日：2009-05-14

  The present invention is directed to diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及一种二氮平类化合物，它们是促进睡眠的药物，可用于治疗或预防神经系统和精神障碍以及涉及促进睡眠的疾病。该发明还涉及包含这些化合物的制药组合物，以及在涉及促进睡眠的疾病的预防或治疗中使用这些化合物和组合物。