3-[4-(2-chloroethyl)-1-piperazinyl]-1,2-benzisothiazole | 483980-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[4-(2-chloroethyl)-1-piperazinyl]-1,2-benzisothiazole
• 英文别名: 3-[4-(2-chloroethyl)piperazin-1-yl]-1,2-benzoisothiazole；3-[4-(2-Chloroethyl)piperazin-1-yl]-1,2-benzothiazole
• CAS: 483980-31-0
• 化学式: C₁₃H₁₆ClN₃S
• 分子量: 281.809
• InChiKey: SEMKWPGYWFLNBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methyl-1,2,3,4-tetrahydro-2-quinazolinone 、 3-[4-(2-chloroethyl)-1-piperazinyl]-1,2-benzisothiazole 在 氢氧化钾 、 四丁基溴化铵 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以41%的产率得到3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-4H-quinazolin-2-one
  参考文献：
  名称：

  New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives with atypical antipsychotic binding profile

  摘要：

  New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives were synthesised and their 5-HT1A, 5-HT2A and D-2 receptor binding affinities evaluated. The compounds displayed high affinity for the 5-HT2A receptor combined with moderate to low 5-HT1A and D-2 affinities. Two of them, 18 and 25, have been selected for further pharmacological studies to be evaluated as potential atypical antipsychotics. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01391-0
• 作为产物：
  描述：

  4-(1,2-benzisothiazol-3-yl)-1-piperazineethanol 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 3-[4-(2-chloroethyl)-1-piperazinyl]-1,2-benzisothiazole
  参考文献：
  名称：

  New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives with atypical antipsychotic binding profile

  摘要：

  New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives were synthesised and their 5-HT1A, 5-HT2A and D-2 receptor binding affinities evaluated. The compounds displayed high affinity for the 5-HT2A receptor combined with moderate to low 5-HT1A and D-2 affinities. Two of them, 18 and 25, have been selected for further pharmacological studies to be evaluated as potential atypical antipsychotics. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01391-0

文献信息

• CONDENSED LACTAM DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20200172543A1

  公开（公告）日：2020-06-04

  The present invention relates to a medicament for treating neuropsychiatric diseases, comprising a compound of Formula (1): or a pharmaceutically acceptable salt thereof, as an active ingredient.

  本发明涉及一种用于治疗神经精神疾病的药物，包括以下化合物（1）的药物学上可接受的盐，作为活性成分。
• FUSED RING LACTAM DERIVATIVES
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP3828182A1

  公开（公告）日：2021-06-02

  The present invention relates to a medicament for treating neuropsychiatric diseases, comprising a compound of Formula (1): or a pharmaceutically acceptable salt thereof, as an active ingredient.

  本发明涉及一种治疗神经精神疾病的药物，由式（1）化合物组成： 或其药学上可接受的盐作为活性成分。
• Condensed lactam derivative
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10745401B2

  公开（公告）日：2020-08-18

  The present invention relates to a medicament for treating neuropsychiatric diseases, comprising a compound of Formula (1): or a pharmaceutically acceptable salt thereof, as an active ingredient.

  本发明涉及一种治疗神经精神疾病的药物，由式（1）化合物组成： 或其药学上可接受的盐作为活性成分。
• [EN] FUSED RING LACTAM DERIVATIVES<br/>[FR] DÉRIVÉS DE LACTAME À CYCLES FUSIONNÉS<br/>[JA] 縮環ラクタム誘導体
  申请人：SUMITOMO DAINIPPON PHARMA CO LTD

  公开号：WO2020022237A1

  公开（公告）日：2020-01-30

  本発明は、式（１）： で表される化合物またはその製薬学的に許容される塩を有効成分とする精神神経疾患の治療剤に関する。
• HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：[en]SUVEN LIFE SCIENCES LIMITED

  公开号：WO2024042480A1

  公开（公告）日：2024-02-29

  The present invention relates to heteroaromatic compounds of formula (I), or their isotopic forms, stereoisomers, or pharmaceutically acceptable salts thereof as antagonist at serotonin 5-HT2Areceptor and agonist at serotonin 5-HT1Areceptor. The present invention also describes methods of making such compounds, pharmaceutical compositions comprising such compounds, and their use in the treatment of CNS disorders.