2-(6-Chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid | 64955-86-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(6-Chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
• CAS: 64955-86-8
• 化学式: C₉H₆ClNO₃S
• 分子量: 243.671
• InChiKey: JQBRWVJTYLUPSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(trans-4-aminocyclohexyl)methyl][(methylethyl)sulfonyl]amine 、 2-(6-Chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-(6-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
  参考文献：
  名称：

  Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists

  摘要：

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.117
• 作为产物：
  描述：

  2(3H)-6-氯苯并噻唑酮 在 甲醇 、 四丁基溴化铵 、 水 、 potassium hydroxide 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-(6-Chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
  参考文献：
  名称：

  Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists

  摘要：

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.117

文献信息

• POPOVA, N. F.;GALLYAMOVA, Z. M.;SAPOZHNIKOV, YU. E., 3 REGION. SOVESHCH. RESP. SRED. AZII I KAZAXSTANA PO XIM. REAKTIVAM, 16-1+
  作者：POPOVA, N. F.、GALLYAMOVA, Z. M.、SAPOZHNIKOV, YU. E.

  DOI：——

  日期：——
• 2-Oxo-benzothiazoline, benzoxazoline or indoline derivatives, their preparation, and pharmaceutical compositions comprising such derivatives
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0022317B1

  公开（公告）日：1983-09-21
• US4370340A
  申请人：——

  公开号：US4370340A

  公开（公告）日：1983-01-25
• US4438126A
  申请人：——

  公开号：US4438126A

  公开（公告）日：1984-03-20
• Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists
  作者：Lingyun Wu、Kai Lu、Mathivanan Packiarajan、Vrej Jubian、Gamini Chandrasena、Toni C. Wolinsky、Mary W. Walker

  DOI：10.1016/j.bmcl.2012.01.117

  日期：2012.3

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.