2-isopropoxynicotinic acid | 1016690-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-isopropoxynicotinic acid
• 英文别名: 2-(Propan-2-yloxy)pyridine-3-carboxylic acid；2-propan-2-yloxypyridine-3-carboxylic acid
• CAS: 1016690-39-3
• 化学式: C₉H₁₁NO₃
• mdl: MFCD09816820
• 分子量: 181.191
• InChiKey: FDVRXYBXOOUUQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine 、 2-isopropoxynicotinic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-(4-chlorophenethyl)-2-isopropoxy-N-(1,4-dioxaspiro[4.5]decan-8-yl)nicotinamide
  参考文献：
  名称：

  Small, non-peptide C5a receptor antagonists: Part 1

  摘要：

  The optimisation of a series of amides for C5a receptor binding and functional activity, and physicochemical properties is described. The initial hit, 1 (IC(50) 1 mu M), was discovered during high throughput screening, from which highly potent C5a receptor antagonists (e. g. 14, IC(50) 5 nM) were developed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.106

文献信息

• [EN] ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ÉTHYLÈNE DIAMINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'HYPOCRÉTINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100161A1

  公开（公告）日：2016-06-23

  The present invention is directed to ethyldiamne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对促进素受体的拮抗剂乙二胺化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进素受体的疾病中的用途。
• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101119A1

  公开（公告）日：2016-06-30

  Fused heteroaryl derivative compounds which are antagonists of orexin receptors are provided. The compounds can be used in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. Also provided is a composition which comprises the compound can be use to prevent or treat such diseases in which orexin receptors are involved.

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。
• [EN] PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS PIPÉRIDINES ISOXAZOLES ET ISOTHIAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016065585A1

  公开（公告）日：2016-05-06

  The present invention is directed to piperidine isoxazole and isothiazole orexin compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对脑嗜睡肽受体的拮抗剂——哌啶异噁唑和异噻唑化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及脑嗜睡肽受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及脑嗜睡肽受体的疾病中的用途。
• [EN] AMIDOETHYL AZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS D'OREXINE DE TYPE AMIDOÉTHYLAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101118A1

  公开（公告）日：2016-06-30

  An amidoethyl azole compounds are provided as antagonists of orexin receptors. The compounds may be used for treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved.

  提供了一种酰胺乙基唑类化合物作为促进睡眠的受体拮抗剂。这些化合物可用于治疗或预防涉及促进睡眠受体的神经和精神障碍和疾病。
• [EN] HETEROARYL OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS HÉTÉROARYLE ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100156A1

  公开（公告）日：2016-06-23

  The present invention is directed to heteroaryl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及异芳基化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述化合物在潜在的治疗或预防神经和精神疾病中的用途，这些疾病中涉及促进睡眠的受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进睡眠的受体的疾病中的用途。