α-hydroxy-1,2-benzisoxazole-3-acetic acid methyl ester | 86556-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: α-hydroxy-1,2-benzisoxazole-3-acetic acid methyl ester
• 英文别名: Methyl 2-(benzo[d]isoxazol-3-yl)-2-hydroxyacetate；methyl 2-(1,2-benzoxazol-3-yl)-2-hydroxyacetate
• CAS: 86556-51-6
• 化学式: C₁₀H₉NO₄
• 分子量: 207.186
• InChiKey: ZNTYVVKJHJLYQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  α-bromo-1,2-benzisoxazole-3-acetic acid methyl ester 、 sodium nitrite 生成 α-hydroxy-1,2-benzisoxazole-3-acetic acid methyl ester
  参考文献：
  名称：

  GIANNELLA, M.;GUALTIERI, F.;FEDELI, W.;CERRINI, S.;GAVUZZO, E., J. HETEROCYCL. CHEM., 1983, 20, N 2, 385-391

  摘要：

  DOI：

文献信息

• Novel 1,2-benzisoxazole derivatives
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：EP0094833A2

  公开（公告）日：1983-11-23

  Novel 1,2-benzisoxazole derivatives of the formula: wherein R, is hydrogen atom, a halogen atom, hydroxy group, a lower alkyl group, trifluoromethyl group, or a lower alkoxy group, R2 is hydroxy group, hydroxymethyl group, a cycloalkyl group, phenoxy group, phenylthio group, or benzyl group, R3 is hydrogen atom or benzyl group, Y is a group of the formula: R4 is hydrogen atom or a lower alkyl group, R5 and R6 are the same or different and are each a lower alkyl group or combine together with the adjacent nitrogen atom to form a heterocyclic group, R7 is a lower alkyl group, m and n are the same or different and are each an integer of 0 to 3, sum of m and n is an integer of 1 to 4, and q and r are the same or different and are each an integer of 1 to 3, and sum of q and r is an integer of 3 to 5, and a pharmaceutically acceptable acid addition salt or quaternary ammonium salt thereof, said compounds having excellent antispasmodic activities, particularly a combination of anti-cholinergic activity and musculotropic activity, and being useful as an antispasmodic agent, and a pharmaceutical composition containing said compounds (I) or their salts as an active ingredient.

  式中的新型 1，2-苯并异噁唑衍生物： 其中 R 是氢原子、卤素原子、羟基、低级烷基、三氟甲基或低级烷氧基，R2 是羟基、羟甲基、环烷基、苯氧基、苯硫基或苄基，R3 是氢原子或苄基，Y 是式中的一个基团： R4 是氢原子或低级烷基，R5 和 R6 相同或不同，各自是低级烷基或与相邻的氮原子结合形成杂环基，R7 是低级烷基，m 和 n 相同或不同，各自是 0 至 3 的整数，m 和 n 之和是 1 至 4 的整数，q 和 r 相同或不同，各自是 1 至 3 的整数、以及 q 和 r 之和为 3 至 5 的整数，以及其药学上可接受的酸加成盐或季铵盐，所述化合物具有优异的解痉活性，特别是抗胆碱能活性和肌张力活性的组合，可用作解痉剂，以及含有所述化合物 (I) 或其盐作为活性成分的药物组合物。
• Giannella, Mario; Gualtieri, Fulvio; Fedeli, Walter, Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 385 - 391
  作者：Giannella, Mario、Gualtieri, Fulvio、Fedeli, Walter、Cerrini, Silvio、Gavuzzo, Enrico

  DOI：——

  日期：——
• INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X
  申请人：Forma Therapeutics, Inc.

  公开号：EP3852790A1

  公开（公告）日：2021-07-28
• [EN] INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X<br/>[FR] INHIBITION DE LA PEPTIDASE 9X SPÉCIFIQUE DE L'UBIQUITINE
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2020061261A1

  公开（公告）日：2020-03-26

  The disclosure provides novel chemical compounds useful as inhibitors of ubiquitin specific peptidase 9X (USP9X). USP9X inhibiting compounds are useful in the treatment of disease and disorders associated with modulation of USP9X, such as cancer.
• GIANNELLA, M.;GUALTIERI, F.;FEDELI, W.;CERRINI, S.;GAVUZZO, E., J. HETEROCYCL. CHEM., 1983, 20, N 2, 385-391
  作者：GIANNELLA, M.、GUALTIERI, F.、FEDELI, W.、CERRINI, S.、GAVUZZO, E.

  DOI：——

  日期：——