4-(1-allyloxycarbonylamino-cyclopropyl)-benzoic acid | 913848-83-6

• 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: 4-(1-allyloxycarbonylamino-cyclopropyl)-benzoic acid
• 英文别名: 4-(1-Allyloxycarbonylaminocyclopropyl)benzoic acid；4-[1-(prop-2-enoxycarbonylamino)cyclopropyl]benzoic acid
• CAS: 913848-83-6
• 化学式: C₁₄H₁₅NO₄
• 分子量: 261.277
• InChiKey: PCNUOLKGBTZQAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯并呋喃-2(3H)-酮 、 4-(1-allyloxycarbonylamino-cyclopropyl)-benzoic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.42h， 生成 (1-(4-[hydroxy-(2-oxo-benzofuran-3-ylidene)-methyl]-phenyl)-cyclopropyl)-carbamic acid allyl ester
  参考文献：
  名称：

  WO2006/114371

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(1-allyloxycarbonylamino-cyclopropyl)-benzoic acid tert-butyl ester 在 montmorillonite 作用下， 以 乙腈 为溶剂， 反应 7.0h， 生成 4-(1-allyloxycarbonylamino-cyclopropyl)-benzoic acid
  参考文献：
  名称：

  WO2006/114371

  摘要：

  公开号：

文献信息

• Compounds for the treatment of inflammatory diseases
  申请人：Anderskewitz Ralf

  公开号：US20060258861A1

  公开（公告）日：2006-11-16

  Compounds of formula 1 and hetero derivatives thereof and the pharmacologically acceptable salts, enantiomers, racemates, hydrates, or solvates thereof, which are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin, or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  化合物1及其杂环衍生物和其药学上可接受的盐、对映体、消旋体、水合物或溶剂化物，适用于治疗呼吸或胃肠疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症，以及含有这些化合物的制药组合物。
• NEUE VERBINDUNGEN ZUR BEHANDLUNG VON ENTZÜNDLICHEN ERKRANKUNGEN
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1877376A1

  公开（公告）日：2008-01-16
• US7723381B2
  申请人：——

  公开号：US7723381B2

  公开（公告）日：2010-05-25
• US8173699B2
  申请人：——

  公开号：US8173699B2

  公开（公告）日：2012-05-08
• [DE] NEUE VERBINDUNGEN ZUR BEHANDLUNG VON ENTZÜNDLICHEN ERKRANKUNGEN<br/>[EN] NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES<br/>[FR] NOUVEAUX COMPOSES DESTINES AU TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2006114371A1

  公开（公告）日：2006-11-02

  [EN] Heteroaryl derivatives (1) and their racemates, enantiomers, diastereomers, acid addition salts, solvates, hydrates and deuterated forms are new. Heteroaryl derivatives of formula (1) and their racemates, enantiomers, diastereomers, acid addition salts, solvates, hydrates and deuterated forms are new. A : CO, C=NH, 1-6C alkylene or 3-8C cycloalkylene; B1>phenyl or an aromatic or non-aromatic ring optionally containing two or three heteroatoms of O, S or N and optionally substituted with OH, O-1-6C alkyl, O-1-6C-haloalkyl, halo, 1-6C alkyl or 1-6C haloalkyl; B2>phenyl or hetero aryl containing 2 or 3 heteroatoms of O, S or N; X : e.g. O or S; n : 0-3; either R1>e.g. H, 1-6C alkyl, 1-6C haloalkyl; and R2>H, 1-6C alkyl or 1-6C haloalkyl; or NR1>R2>non-aromatic heterocycle containing 2 or 3 heteroatoms of O or N; or R2>+N+A+B1>bicyclic group of formula (g); A : CO, C=NH or 1-3C alkyl; m : 1-3; B1>sulfonyl compound of formula (h); Z1>H, OH, halo, 1-6C alkyl, 1-6C alkanol, O(1-6C alkyl), 6-10C aryl, O-6-10C aryl, NH2, NH(1-6C alkyl), N(1-6C) alkyl or 3-7C cycloalkyl; and R4>e.g. 1-6C alkyl, 3-8C cycloalkyl, 1-6C haloalkyl, CN or halo. Full definitions are given in the DEFINITIONS (Full Definitions) Field. Independent claims are included for: (1) a medicament combination comprising (1) and further active substance, such as beta-mimetic, anticholinergic, corticosteroid, further phosphodiesterase-4-inhibitors, leukotriene D4 antagonists, epidermal growth factor receptor inhibitor, dopamine agonists, H1-antihistaminic, platelet-activating factor antagonist and/or phosphatidylinositol-3 kinase inhibitor; and (2) intermediate compounds of formula (i-iii) or (I-V). PG : H or a suitable protection group; and G : NO2 or NH2. [Image] [Image] [Image] [Image] [Image] - ACTIVITY : Gastrointestinal-Gen.; Antidepressant; Neuroleptic; Antimanic; Neuroprotective; Nootropic; Antiparkinsonian; Analgesic; Cerebroprotective; CNS-Gen.; Respiratory-Gen.; Antiasthmatic; Antiinflammatory; Antiulcer. - MECHANISM OF ACTION : Phosphodiesterase-4 enzyme inhibitor.
  [EN] The invention relates to novel compounds of formula (1), heteroderivatives thereof, and pharmacologically compatible salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, that are suitable for treating respiratory or gastrointestinal complaints or illnesses, inflammatory diseases of the joints, skin or eyes, diseases relating to the peripheral or central nervous system, or cancerous diseases. The invention also relates to pharmaceutical compositions containing said compounds.
  [FR] L'invention concerne de nouveaux composés représentés par la formule (1), des hétérodérivés, des sels pharmaceutiquement acceptables, des diastéréomères, des énantiomères, des racémates, des hydrates ou des solvates de des composés, servant au traitement de troubles respiratoires ou gastro-intestinaux, de maladies et maladies inflammatoires des articulations, de la peau et des yeux, de maladies du système nerveux central ou périphérique ou de maladies cancéreuses. L'invention concerne également des compositions pharmaceutiques contenant ces composés.
  [DE] Die Erfindung betrifft neue Verbindungen der Formel (1) und Heteroderivate davon, sowie pharmakologisch verträgliche Salz, Diastereomere, Enantiomere, Racemate, Hydrate oder Solvate davon, die geeignet sind zur Behandlung von Atemwegs- oder gastrointestinalen Beschwerden oder Erkrankungen, entzündlichen Erkrankungen der Gelenke, der Haut oder der Augen, Erkrankungen des periphären oder zentralen Nervensystems oder Krebserkrankungen, sowie pharmazeutische Zusammensetzungen die diese Verbindungen beinhalten.