hydroxy-3 tetrahydro-4,5,6,7 (3H) isobenzofurannone-1 | 117436-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 英文名称: hydroxy-3 tetrahydro-4,5,6,7 (3H) isobenzofurannone-1
• 英文别名: 3-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one；1(3H)-Isobenzofuranone, 4,5,6,7-tetrahydro-3-hydroxy-；3-hydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
• CAS: 117436-83-6
• 化学式: C₈H₁₀O₃
• 分子量: 154.166
• InChiKey: IQGNSMPKOZXGDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯乙基异氰酸酯 、 hydroxy-3 tetrahydro-4,5,6,7 (3H) isobenzofurannone-1 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以59%的产率得到
  参考文献：
  名称：

  Stereoselective One-Pot Method for the Introduction of an Amino Group to a Cyclohexane Ring. Preparation of the Octahydroisobenzofuro[7a,1-d]oxazole Ring System

  摘要：

  通过碱催化加成-环化反应，描述了羟基内酯4a-4d与各种异氰酸酯5a-5f的立体选择性一锅法合成八氢异苯并呋喃[7a,1-d]-恶唑-2,5-二酮7-14。该环系统包含立体选择性调控的三个连续不对称碳原子。

  DOI：

  10.1055/s-1992-26353
• 作为产物：
  描述：

  3,4,5,6-四氢苯酐 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到hydroxy-3 tetrahydro-4,5,6,7 (3H) isobenzofurannone-1
  参考文献：
  名称：

  Stereoselective One-Pot Method for the Introduction of an Amino Group to a Cyclohexane Ring. Preparation of the Octahydroisobenzofuro[7a,1-d]oxazole Ring System

  摘要：

  通过碱催化加成-环化反应，描述了羟基内酯4a-4d与各种异氰酸酯5a-5f的立体选择性一锅法合成八氢异苯并呋喃[7a,1-d]-恶唑-2,5-二酮7-14。该环系统包含立体选择性调控的三个连续不对称碳原子。

  DOI：

  10.1055/s-1992-26353

文献信息

• INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE
  申请人：Gandhi Virajkumar B.

  公开号：US20080161280A1

  公开（公告）日：2008-07-03

  Inhibitors of poly(ADP-ribose)polymerase, ways to make them and methods of treating patients using them are disclosed.

  聚(ADP核糖)聚合酶抑制剂、制备方法以及利用它们治疗患者的方法被披露。
• Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient
  申请人：Seko Takuya

  公开号：US20050085476A1

  公开（公告）日：2005-04-21

  Fused pyridazine derivatives represented by formula (I) or pharmaceutically acceptable salts thereof (wherein each symbol has the meaning as defined in the specification.). Because of inhibiting poly(ADP-ribose)polymerase, the compounds represented by formula (I) are useful as preventives and/or remedies for various ischemic diseases (in brain, cord, heart, digestive tract, skeletal muscle, retina, etc.), inflammatory diseases (inflammatory bowel disease, multiple cerebrosclerosis, arthritis, etc.), neurodegenerative diseases (extrapyramidal disorder, Alzheimer's disease, muscular dystrophy, lumbar spinal canal stenosis, etc.), diabetes, shock, head trauma, renal failure, hyperalgesia, etc. Moreover, these compounds are useful as agents against retroviruses (HIV etc.), sensitizers in treating cancer and immunosuppressants.

  公式(I)所代表的融合吡啶嗪衍生物或其药学上可接受的盐（其中每个符号的含义如说明书所定义）。由于抑制多聚腺苷酸核苷酸聚合酶，公式（I）所代表的化合物可用作各种缺血性疾病（在大脑、脊髓、心脏、消化道、骨骼肌、视网膜等处）、炎症性疾病（炎症性肠病、多发性硬化症、关节炎等）、神经退行性疾病（锥体外系障碍、阿尔茨海默病、肌萎缩症、腰椎管狭窄等）、糖尿病、休克、头部创伤、肾功能衰竭、高痛感等的预防和/或治疗剂。此外，这些化合物可用作抗逆转录病毒剂（HIV等）、癌症治疗敏感剂和免疫抑制剂。
• FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：Seko Takuya

  公开号：US20080261947A1

  公开（公告）日：2008-10-23

  Fused pyridazine derivatives represented by formula (I) or pharmaceutically acceptable salts thereof (wherein each symbol has the meaning as defined in the specification.). Because of inhibiting poly(ADP-ribose)polymerase, the compounds represented by formula (I) are useful as preventives and/or remedies for various ischemic diseases (in brain, cord, heart, digestive tract, skeletal muscle, retina, etc.), inflammatory diseases (inflammatory bowel disease, multiple cerebrosclerosis, arthritis, etc.), neurodegenerative diseases (extrapyramidal disorder, Alzheimer's disease, muscular dystrophy, lumbar spinal canal stenosis, etc.), diabetes, shock, head trauma, renal failure, hyperalgesia, etc. Moreover, these compounds are useful as agents against retroviruses (HIV etc.), sensitizers in treating cancer and immunosuppressants.

  式（I）所表示的融合吡嗪衍生物或其药学上可接受的盐（其中每个符号的含义如规范中所定义）。由于抑制了聚(ADP-核糖)聚合酶，式（I）所表示的化合物可用作预防和/或治疗各种缺血性疾病（在大脑、脊髓、心脏、消化道、骨骼肌、视网膜等部位），炎症性疾病（炎症性肠病、多发性硬化症、关节炎等），神经退行性疾病（锥体外系障碍、阿尔茨海默病、肌萎缩症、腰椎管狭窄等），糖尿病、休克、头部创伤、肾功能衰竭、高痛感等。此外，这些化合物还可用作抗逆转录病毒剂（HIV等）、治疗癌症的增敏剂和免疫抑制剂。
• Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US07402580B2

  公开（公告）日：2008-07-22

  Fused pyridazine derivatives represented by formula (I) or pharmaceutically acceptable salts thereof (wherein each symbol has the meaning as defined in the specification.). Because of inhibiting poly(ADP-ribose)polymerase, the compounds represented by formula (I) are useful as preventives and/or remedies for various ischemic diseases (in brain, cord, heart, digestive tract, skeletal muscle, retina, etc.), inflammatory diseases (inflammatory bowel disease, multiple cerebrosclerosis, arthritis, etc.), neurodegenerative diseases (extrapyramidal disorder, Alzheimer's disease, muscular dystrophy, lumbar spinal canal stenosis, etc.), diabetes, shock, head trauma, renal failure, hyperalgesia, etc. Moreover, these compounds are useful as agents against retroviruses (HIV etc.), sensitizers in treating cancer and immunosuppressants.

  公式（I）所表示的融合吡嗪衍生物或其药学上可接受的盐（其中每个符号的含义如规范中定义）。由于抑制多聚（ADP-核糖）聚合酶，公式（I）所表示的化合物可用作各种缺血性疾病（在脑、脊髓、心脏、消化道、骨骼肌、视网膜等）、炎症性疾病（炎症性肠病、多发性硬化症、关节炎等）、神经退行性疾病（锥体外系障碍、阿尔茨海默病、肌萎缩症、腰椎管狭窄等）、糖尿病、休克、头部创伤、肾衰竭、高痛感等的预防和/或治疗剂。此外，这些化合物可用作反转录病毒（HIV等）的药剂、癌症治疗中的致敏剂和免疫抑制剂。
• Inhibitors of poly(ADP-ribose)polymerase
  申请人：Gandhi Virajkumar B.

  公开号：US08466150B2

  公开（公告）日：2013-06-18

  Inhibitors of poly(ADP-ribose)polymerase, ways to make them and methods of treating patients using them are disclosed.

  本发明揭示了聚(ADP-核糖)聚合酶的抑制剂、制备它们的方法以及使用它们治疗患者的方法。

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