4-(2,3-difluoro-phenylamino)-6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-pyrimidine-5-carbonitrile | 733751-17-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(2,3-difluoro-phenylamino)-6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-pyrimidine-5-carbonitrile
• 英文别名: 4-(2,3-difluoroanilino)-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
• CAS: 733751-17-2
• 化学式: C₂₁H₂₁F₂N₇O
• 分子量: 425.441
• InChiKey: LRSYRHVVSVOEDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-(3-异丙基-1,2,4-恶二唑-5-基)哌啶 、 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.5h， 生成 4-(2,3-difluoro-phenylamino)-6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-pyrimidine-5-carbonitrile
  参考文献：
  名称：

  [EN] 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA
  [FR] DERIVES ARYLES ET HETEROARYLES TRI-SUBSTITUES EN POSITION 1,2,3 EN TANT QUE MODULATEURS DE METABOLISME ET PROPHYLAXIE ET TRAITEMENT DE TROUBLES LIES AU METABOLISME

  摘要：

  本发明涉及某些Fomula（Ia）的1,2,3-三取代芳基和杂芳基衍生物，它们是代谢调节剂。因此，本发明的化合物在预防或治疗代谢紊乱及其并发症，如糖尿病和肥胖方面是有用的。

  公开号：

  WO2004065380A1

文献信息

• [EN] HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES<br/>[FR] DERIVES HYDROXY-TETRAHYDRO-NAPHTALENYLUREE
  申请人：BAYER AG

  公开号：WO2003095420A1

  公开（公告）日：2003-11-20

  This invention relates to tetrahydro-naphthalene derivatives and salts thereof which is useful as an active ingredient of pharmaceutical preparations. The tetrahydro-naphthalene derivatives of the present invention have an excellent activity as VR1 antagonist and useful for the prophylaxis and treatment of diseases associated with VR1 activity, in particular for the treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, algesia, nerve injury, ischaemia, neurodegeneration, stroke, incontinence, inflammatory disorders such as asthma and COPD.

  这项发明涉及四氢萘衍生物及其盐，可作为药物配方的有效成分。本发明的四氢萘衍生物作为VR1拮抗剂具有出色的活性，可用于预防和治疗与VR1活性相关的疾病，特别是用于治疗急迫性尿失禁、过度活跃膀胱、慢性疼痛、神经痛、术后疼痛、类风湿关节炎疼痛、神经痛、神经病、疼痛、神经损伤、缺血、神经退行性疾病、中风、失禁、哮喘和慢性阻塞性肺病等炎症性疾病的治疗。
• 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia
  申请人：Jones M. Robert

  公开号：US20060217379A1

  公开（公告）日：2006-09-28

  The present invention relates to certain 1,2,3-trisubstituted aryl and heteroaryl derivatives of Fomula (Ia) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complications thereof, such as, diabetes and obesity.

  本发明涉及某些1,2,3-三取代芳基和杂环芳基衍生物（Ia式）的代谢调节剂。因此，本发明的化合物在预防或治疗代谢性疾病及其并发症，如糖尿病和肥胖症方面是有用的。
• 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US08293751B2

  公开（公告）日：2012-10-23

  The present invention relates to certain 1,2,3-trisubstituted aryl and heteroaryl derivatives of Formula (Ia) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complications thereof, such as, diabetes and obesity.

  本发明涉及某些1,2,3-三取代芳基和杂环芳基衍生物的公式（Ia），它们是代谢调节剂。因此，本发明的化合物在预防或治疗代谢紊乱及其并发症，如糖尿病和肥胖症方面是有用的。
• HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES
  申请人：Bayer HealthCare AG

  公开号：EP1506167A1

  公开（公告）日：2005-02-16
• 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP1599468B1

  公开（公告）日：2007-10-03