1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]-cyclopentane-1-carboxylic acid | 220441-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]-cyclopentane-1-carboxylic acid
• 英文别名: 1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]cyclopentane-1-carboxylic acid；1-[[4-(4-fluorophenyl)phenyl]sulfonyl-(3-methoxy-3-oxopropyl)amino]cyclopentane-1-carboxylic acid
• CAS: 220441-14-5
• 化学式: C₂₂H₂₄FNO₆S
• 分子量: 449.5
• InChiKey: GNNIQPUSXCGYKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]-cyclopentane-1-carboxylic acid 、 苄氧基胺盐酸盐 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 20.0h， 以86%的产率得到3-[(1-benzyloxycarbamoylcyclopentyl)-(4'-fluorobiphenyl-4-sulfonyl)amino]propionic acid methyl ester
  参考文献：
  名称：

  [EN] INHIBITOR IMAGING AGENTS
  [FR] AGENTS INHIBITEURS D'IMAGERIE

  摘要：

  本发明揭示了一种成像试剂，其中包括一种特定类型的矩阵金属蛋白酶抑制剂（MMPi's），属于磺胺基羟肟类，并标记有成像基团，可用于哺乳动物体内成像和诊断的诊断成像试剂。

  公开号：

  WO2005049005A1
• 作为产物：
  描述：

  1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]-cyclopentane-1-carboxylic acid benzyl ester 在 钯 nylon 作用下， 以 甲醇 为溶剂， 反应 3.5h， 以to afford 1-{(4′-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]cyclopentane-1-carboxylic acid as a white foam (10.1 grams, 100%)的产率得到1-[(4'-fluorobiphenyl-4-sulfonyl)-(2-methoxycarbonylethyl)amino]-cyclopentane-1-carboxylic acid
  参考文献：
  名称：

  Imaging Agents with Improved Pharmacokinetic Profiles

  摘要：

  该发明涉及适用于成像剂的化合物，所述成像剂显示出改进的药代动力学特性。

  公开号：

  US20080095704A1

文献信息

• [EN] ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS ARYL-PHÉNYL-SULFONAMINO-CYCLOALKYLE ET LEURS UTILISATIONS
  申请人：PIMCO 2664 LTD

  公开号：WO2010032009A1

  公开（公告）日：2010-03-25

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-phenyl-sulfonamido-cycloalkyl compounds of the following formula (collectively referred to herein as "APSAC compounds"). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in treatment, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, Paget's disease and the like, etc.; and of cancer, such as a haematological malignancy, a solid tumour, etc. Formula (I).

  本发明一般涉及治疗化合物领域，更具体地涉及以下化学式的某些芳基-苯基-磺酰胺基-环烷基化合物（以下统称为“APSAC化合物”）。本发明还涉及包含这种化合物的药物组合物，以及这种化合物和组合物的使用，无论是在体外还是体内，用于治疗炎症和/或关节破坏和/或骨质流失等疾病，过度和/或不适当和/或持续激活免疫系统介导的疾病，例如炎症性和自身免疫性疾病，如类风湿关节炎、银屑病、银屑病性关节炎、慢性阻塞性肺病（COPD）、动脉粥样硬化、炎症性肠病、强直性脊柱炎等；与骨质流失相关的疾病，例如类风湿性关节炎中由过度破骨细胞活动引起的骨质流失、骨质疏松症、癌症相关的骨病、帕金森病等等；以及癌症，如血液恶性肿瘤、实体肿瘤等。化学式（I）。
• Inhibitor imaging agents
  申请人：Cuthbertson Alan

  公开号：US20070104644A1

  公开（公告）日：2007-05-10

  The present invention discloses that imaging agents which comprise a specific type of matrix metalloproteinase inhibitors (MMPi's) of the sulphonamide hydroxamate class labelled with an imaging moiety, are useful diagnostic imaging agents for in vivo imaging and diagnosis of the mammalian body.

  本发明揭示了一种成像剂，它包括一种特定类型的矩阵金属蛋白酶抑制剂（MMPi's）的磺酰胺羟肟类，标记有成像部分，用于哺乳动物体内成像和诊断的有用诊断成像剂。
• Imaging Agents with Improved Pharmacokinetic Profiles
  申请人：Cuthbertson Alan

  公开号：US20080095704A1

  公开（公告）日：2008-04-24

  The invention relates to compounds suitable for use in an imaging agent said imaging agent showing an improved pharmacokinetic profile.

  该发明涉及适用于成像剂的化合物，所述成像剂显示出改进的药代动力学特性。
• Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use
  申请人：Greig Iain Robert

  公开号：US20110172189A1

  公开（公告）日：2011-07-14

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-phenyl-sulfonamido-cycloalkyl compounds of the following formula (collectively referred to herein as “APSAC compounds”). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in treatment, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, Paget's disease and the like, etc.; and of cancer, such as a haematological malignancy, a solid tumour, etc. Formula (I).

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些芳基-苯基-磺酰胺基环烷化合物（统称为“APSAC化合物”）。本发明还涉及包含这种化合物的制药组合物以及在体内外使用这种化合物和组合物治疗炎症、关节破坏和/或骨质流失等问题，治疗由免疫系统过度和/或不适当和/或持久活化引起的疾病，如类风湿性关节炎、牛皮癣、银屑病性关节炎、慢性阻塞性肺疾病（COPD）、动脉粥样硬化、炎症性肠病、强直性脊柱炎等炎症和自身免疫性疾病，以及与骨质流失相关的疾病，如类风湿性关节炎、骨质疏松症、癌症相关骨病、帕吉特病等，以及癌症，如血液系统恶性肿瘤、实体瘤等。公式（I）。
• Arylsulfonylamino hydroxamic acid derivatives
  申请人：Pfizer Products Inc.

  公开号：EP0895988B1

  公开（公告）日：2002-05-22