1-(benzo[d]isoxazol-3-yl)piperazine hydrochloride | 87691-90-5

• 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: 1-(benzo[d]isoxazol-3-yl)piperazine hydrochloride
• 英文别名: 3-(1-piperazinyl)-1,2-benzisoxazole hydrocloride；3-(piperazin-1-yl)benzo[d]isoxazole hydrochloride；1,2-benzisothiazole-3-piperazinyl hydrochloride；3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride；3-piperazin-1-yl-1,2-benzoxazole;hydrochloride
• CAS: 87691-90-5
• 化学式: C₁₁H₁₃N₃O*ClH
• 分子量: 239.705
• InChiKey: QSXYQRWLEGCKEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(benzo[d]isoxazol-3-yl)piperazine hydrochloride 在 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 15.0h， 生成 (R)-1-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
  参考文献：
  名称：

  Orally-Effective, Long-Acting Sorbitol Dehydrogenase Inhibitors:  Synthesis, Structure−Activity Relationships, and in Vivo Evaluations of Novel Heterocycle-Substituted Piperazino-Pyrimidines

  摘要：

  Optimization of a previously disclosed sorbitol dehydrogenase inhibitor (SDI, II) for potency and duration of action was achieved by replacing the metabolically labile N,N-dimethylsulfamoyl group with a variety of heterocycles. Specifically, this effort led to a series of novel, in vitro potent SDIs with longer serum half-lives and acceptable in vivo activity in acutely diabetic rats (e.g., 62, 67, and 69). However, the desired in vivo potency in chronically diabetic rats, ED90 less than or equal to 5 mg/kg/day, was achieved only through further modification of the piperazine linker. Several members of this family, including 86, showed better than the targeted potency with ED90 values of 1-2 mg/kg/day. Compound 86 was further profiled and found to be a selective inhibitor of sorbitol dehydrogenase, with excellent pharmacodynamic/pharmacokinetic properties, demonstrating normalization of sciatic nerve fructose in a chronically diabetic rat model for similar to17 h, when administered orally at a single dose of 2 mg/kg/day.

  DOI：

  10.1021/jm010440g

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。
• [EN] N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES<br/>[FR] DERIVES DE PIPERIDINE ET DE PIPERAZINE N-SUBSTITUES
  申请人：WARNER LAMBERT CO

  公开号：WO2005066165A1

  公开（公告）日：2005-07-21

  This invention relates to compounds of the formula 1 wherein R1, R2, R7, R8, R9, U, V, Z, A, W, X, M, E, L, T and D are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  这项发明涉及式1的化合物，其中R1、R2、R7、R8、R9、U、V、Z、A、W、X、M、E、L、T和D的定义如规范中所述，包含它们的药物组合物以及它们在治疗中枢神经系统和其他疾病中的用途。
• BENZOPYRONE DERIVATIVE AND USE THEREOF
  申请人：Zhang Guisen

  公开号：US20140113911A1

  公开（公告）日：2014-04-24

  The present invention relates to the field of pharmaceutical chemistry, and in particular, to a benzopyrone derivative and a use thereof. The benzopyrone derivative is compound having a structure of formula (I) or a pharmaceutically acceptable salt thereof. It has been found by experiments that, this type of compounds is useful in prevention or treatment of neuropsychical diseases.

  本发明涉及制药化学领域，具体地说，涉及一种苯并吡喃衍生物及其用途。该苯并吡喃衍生物是具有结构式(I)或其药用可接受盐的化合物。经实验证明，这类化合物在预防或治疗神经精神疾病方面具有用途。
• [EN] HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA<br/>[FR] PIPERAZINES HETEROCYCLIQUES SUBSTITUEES POUR LE TRAITEMENT DE LA SCHIZOPHRENIE
  申请人：WARNER LAMBERT CO

  公开号：WO2004026864A1

  公开（公告）日：2004-04-01

  This invention relates to compounds of the formula 1 wherein X, Y, Z, A, R', R2, R3, R4, R9, W' and W2 are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  本发明涉及式1的化合物，其中X、Y、Z、A、R'、R2、R3、R4、R9、W'和W2如规范中定义，包含它们的药物组合物以及它们在治疗中枢神经系统和其他疾病中的用途。
• [EN] HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA<br/>[FR] DERIVES D'INDANE HETEROCYCLIQUE SUBSTITUE ET COMPOSES APPARENTES POUR LE TRAITEMENT DE LA SCHIZOPHRENIE
  申请人：WARNER LAMBERT CO

  公开号：WO2005056540A1

  公开（公告）日：2005-06-23

  This invention relates to compounds of the formula (I) wherein J, M, G, m, X, R', R2, R4, R5, R6, R7, R8, R9, Y, n, z, and R' are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  这项发明涉及式(I)的化合物，其中J、M、G、m、X、R'、R2、R4、R5、R6、R7、R8、R9、Y、n、z和R'的定义如规范中所述，包含它们的药物组合物及其在治疗中枢神经系统和其他疾病中的用途。