1-[3-(4-acetyl-piperazin-1-yl)-5-tert-butyl-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)ethanone hydrobromide | 474623-35-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(4-acetyl-piperazin-1-yl)-5-tert-butyl-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)ethanone hydrobromide
• 英文别名: 1-[3-(4-acetylpiperazin-1-yl)-5-tert-butyl-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone;hydrobromide
• CAS: 474623-35-3
• 化学式: BrH*C₃₁H₄₁FN₄O₅
• 分子量: 649.601
• InChiKey: BFOMCIYLUAZWGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  95.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine 、 1-[3-(4-Acetylpiperazino)-5-(tert-butyl)-4-methoxyphenyl]-2-bromo-1-ethanone 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 1-[3-(4-acetyl-piperazin-1-yl)-5-tert-butyl-4-methoxyphenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)ethanone hydrobromide
  参考文献：
  名称：

  2-IMINOPYRROLIDINE DERIVATES

  摘要：

  公开号：

  EP1391451B1

文献信息

• [EN] 5-SUBSTITUTED 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS<br/>[FR] DERIVES 5-SUBSTITUES 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE UTILISES EN TANT QU'INHIBITEURS DE PTPASE 1B
  申请人：NOVARTIS AG

  公开号：WO2003082841A1

  公开（公告）日：2003-10-09

  Compounds of the formula (I) provide pharmacological agents which are inhibitors of PTPases, in particular, the compounds of formula (I) inhibit PTP-1 B and TC PTP, and thus may be employed for the treatment of conditions associated with PTPase activity. The compounds of the present invention may also be employed for inhibition of other enzymes with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels. The compounds of the present invention may also be employed in the treatment, prevention or control of a number of conditions that accompany Type 2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat or prevent cancer, osteoporosis, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式（I）的化合物提供了一种药理剂，它们是PTP酶的抑制剂，特别是公式（I）的化合物抑制PTP-1 B和TC PTP，因此可以用于治疗与PTP酶活性相关的疾病。本发明的化合物还可用于抑制具有磷酸酪氨酸结合区域的其他酶，如SH2结构域。因此，公式（I）的化合物可用于预防或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压以及大、小血管缺血性疾病相关的胰岛素抵抗。本发明的化合物还可用于治疗、预防或控制伴随2型糖尿病的许多疾病，包括高脂血症、高三酸甘油脂血症、动脉粥样硬化、血管再狭窄、肠易激综合症、胰腺炎、脂肪细胞瘤和脂肪肉瘤等癌症、血脂异常以及其他表现出胰岛素抵抗的疾病。此外，本发明的化合物还可用于治疗或预防癌症、骨质疏松症、神经退行性疾病、传染病以及涉及炎症和免疫系统的疾病。
• 5-Substituted 1,1-dioxo-'1,2,5!thiazolidine-3-one derivatives as ptpase 1b inhibitors
  申请人：Coppola Mark Gary

  公开号：US20050090502A1

  公开（公告）日：2005-04-28

  Compounds of the formula provide pharmacological agents which are inhibitors of PTPases, in particular, the compounds of formula I inhibit PTP-1B and TC PTP, and thus may be employed for the treatment of conditions associated with PTPase activity. The compounds of the present invention may also be employed for inhibition of other enzymes with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula I may be employed for prevention or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels. The compounds of the present invention may also be employed in the treatment, prevention or control of a number of conditions that accompany Type 2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat or prevent cancer, osteoporosis, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式I的化合物提供了药理剂，这些药理剂是PTP酶的抑制剂，特别是公式I的化合物可以抑制PTP-1B和TC PTP，因此可用于治疗与PTP酶活性相关的疾病。本发明的化合物还可用于抑制具有磷酸酪氨酸结合区域的其他酶，例如SH2结构域。因此，公式I的化合物可用于预防或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压以及大、小血管缺血性疾病相关的胰岛素抵抗症状。本发明的化合物还可用于治疗、预防或控制伴随2型糖尿病的多种疾病，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤、脂质代谢紊乱以及其他表现为胰岛素抵抗的疾病。此外，本发明的化合物还可用于治疗或预防癌症、骨质疏松症、神经退行性和传染性疾病以及涉及炎症和免疫系统的疾病。
• 2-Iminopyrrolidine derivatives
  申请人：Suzuki Shuichi

  公开号：US20050245592A1

  公开（公告）日：2005-11-03

  A 2-iminopyrrolidine derivative represented by the formula: wherein ring B represents a benzene ring, pyridine ring, etc.; R 101 -R 103 represent hydrogen, halogen, C 1-6 alkyl, etc.; R 5 represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy-C 1-6 alkyl, etc.; R 6 represents hydrogen, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, etc.; Y 1 represents a single bond, —CH 2 —, etc.; Y 2 represents a single bond, —CO—, etc.; and Ar represents hydrogen, a group represented by the formula: [wherein R 10 -R 14 represent hydrogen, C 1-6 alkyl, hydroxyl, C 1-6 alkoxy, etc.; and R 11 and R 12 or R 12 and R 13 may bond together to form a 5- to 8-membered heterocyclic ring], etc.}, or a salt thereof.

  一种2-伊米诺吡咯烷衍生物，其化学式为：其中环B代表苯环、吡啶环等；R101-R103代表氢、卤素、C1-6烷基等；R5代表氢、C1-6烷基、C1-6烷氧基-C1-6烷基等；R6代表氢、C1-6烷基、C1-6烷氧羰基等；Y1代表单键，-CH2-等；Y2代表单键，-CO-等；Ar代表氢，一个由以下式子表示的基团：[其中R10-R14代表氢、C1-6烷基、羟基、C1-6烷氧基等；R11和R12或R12和R13可以结合形成5-至8-成员的杂环]，等，或其盐。
• Cyclic sulfamide derivatives and methods of use
  申请人：——

  公开号：US20040023974A1

  公开（公告）日：2004-02-05

  Compounds of the formula 1 provide pharmacological agents which are inhibitors of PTPases, in particular, the compounds of formula I inhibit PTP-1B and TC PTP, and thus may be employed for the treatment of conditions associated with PTPase activity. The compounds of the present invention may also be employed for inhibition of other enzymes with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula I may be employed for prevention or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels. The compounds of the present invention may also be employed in the treatment, prevention or control of a number of conditions that accompany Type 2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat or prevent cancer, osteoporosis, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式1的化合物可提供药理学制剂，这些制剂是PTP酶的抑制剂，特别是公式I的化合物抑制PTP-1B和TC PTP，因此可用于治疗与PTP酶活性相关的疾病。本发明的化合物也可用于抑制其他具有磷酸酪氨酸结合区域（如SH2结构域）的酶。因此，公式I的化合物可用于预防或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压和大、小血管缺血性疾病相关的胰岛素抵抗。本发明的化合物还可用于治疗、预防或控制伴随2型糖尿病的许多疾病，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤、脂质代谢异常以及其他表现为胰岛素抵抗的疾病。此外，本发明的化合物还可用于治疗或预防癌症、骨质疏松症、神经退行性和传染性疾病以及涉及炎症和免疫系统的疾病。
• 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives
  申请人：Coppola Gary Mark

  公开号：US20080139576A1

  公开（公告）日：2008-06-12

  Compounds of the formula provide pharmacological agents which are inhibitors of PTPases, in particular, the compounds of formula I inhibit PTP-1B and TC PTP, and thus may be employed for the treatment of conditions associated with PTPase activity. The compounds of the present invention may also be employed for inhibition of other enzymes with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula I may be employed for prevention or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels. The compounds of the present invention may also be employed in the treatment, prevention or control of a number of conditions that accompany Type 2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat or prevent cancer, osteoporosis, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  化合物的公式提供了药理剂，这些药理剂是PTP酶的抑制剂，特别是公式I的化合物抑制PTP-1B和TC PTP，因此可用于治疗与PTP酶活性相关的疾病。本发明的化合物也可用于抑制其他具有磷酸酪氨酸结合区域（如SH2结构域）的酶。因此，公式I的化合物可用于预防或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压和大、小血管缺血性疾病相关的胰岛素抵抗症状。本发明的化合物还可用于治疗、预防或控制伴随2型糖尿病的许多疾病，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤等癌症、失调脂质代谢和其他表现为胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗或预防癌症、骨质疏松症、神经退行性和传染性疾病以及涉及炎症和免疫系统的疾病。