3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-ol | 87078-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-ol
• 英文别名: 3-[m-(1-piperidinylmethyl)phenoxy]propanol；1-Propanol, 3-[3-(1-piperidinylmethyl)phenoxy]-；3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol
• CAS: 87078-26-0
• 化学式: C₁₅H₂₃NO₂
• 分子量: 249.353
• InChiKey: JACPUZOKPSTMTK-UHFFFAOYSA-N

物化性质

• 沸点：
  372.6±22.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

代谢

1-丙醇, 3-[3-(1-哌啶基甲基)苯氧基]- 已知的人类代谢物包括 3-(1-哌啶基甲基)苯酚和 1-[[3-(3-羟基丙氧基)苯基]甲基]哌啶-2-醇。

1-propanol, 3-[3-(1-piperidinylmethyl)phenoxy]- has known human metabolites that include 3-(1-Piperidinylmethyl)phenol and 1-[[3-(3-hydroxypropoxy)phenyl]methyl]piperidin-2-ol.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-ol 在 氯化亚砜 作用下， 生成 1-[[3-(3-氯丙氧基)苯基]甲基]哌啶
  参考文献：
  名称：

  Hough; Nalwalk; Li, Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 283, # 3, p. 1534 - 1543

  摘要：

  DOI：
• 作为产物：
  描述：

  间羟基苯甲醛 在 sodium cyanoborohydride 、 potassium carbonate 作用下， 生成 3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-ol
  参考文献：
  名称：

  Hough; Nalwalk; Li, Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 283, # 3, p. 1534 - 1543

  摘要：

  DOI：

文献信息

• [EN] OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND<br/>[FR] FORMULATION OPHTALMOLOGIQUE DE COMPOSÉ D'INHIBITEUR DE LA KINASE RHO
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2009155209A1

  公开（公告）日：2009-12-23

  The present invention relates to an aqueous pharmaceutical formulation comprising at least one inhibitor of Rho-associated protein kinase (ROCK). The aqueous pharmaceutical formulation comprises 0.01-0.4% w/v of ROCK inhibitor(s), a non-ionic surfactant in an amount of 0.01-2% w/v, and a tonicity agent to maintain a tonicity between 220-360 mOsm/kG, at a pH between 6.3 to 7.8, wherein the ROCK inhibitor, the surfactant, and the tonicity agent are compatible in the formulation. The aqueous ophthalmic formulations of this invention have an increased ocular bioavailability and/or aqueous humor concentrations without a concomitant increase in systemic concentrations. The present invention further provides a method of reducing intraocular pressure, particularly a method of treating glaucoma, by administering the aqueous pharmaceutical formulation to a subject.
• [EN] METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS<br/>[FR] PROCÉDÉ PERMETTANT DE TRAITER DES MALADIES PULMONAIRES PAR DES COMPOSÉS INHIBITEURS DE RHO KINASE
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2009158587A1

  公开（公告）日：2009-12-30

  This invention is directed to methods of preventing or treating diseases or conditions of the lungs associated with excessive cell proliferation, remodeling, inflammation, vasoconstriction, bronchoconstriction, airway hyperreactivity and edema. Particularly, this invention is directed to methods of treating pulmonary diseases such as asthma; chronic obstructive pulmonary disease; respiratory tract illness caused by respiratory syncytial virus; pulmonary arterial hypertension; acute respiratory distress syndrome and ventilator induced lung injury; cystic fibrosis; bronchiectasis; alpha-1-antitrypsin deficiency; rhinitis; rhinosinusitis; primary ciliary dyskinesia; pneumonia; bronchiolitis caused by agents other than respiratory syncytial virus; and interstitial lung disease including lymphangioleiomyomatosis; idiopathic pulmonary fibrosis; obliterative bronchiolitis or bronchiolitis obliterans organizing pneumonia due to lung transplantation or HSCT; nonspecific interstitial pneumonia; cryptogenic organizing pneumonia; acute interstitial pneumonia; respiratory bronchiolitis-associated interstitial lung disease; or pulmonary sarcoidosis. The method comprises administering to a subject an effective amount of a rho kinase inhibitor compound to treat the disease.
• [EN] METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS<br/>[FR] PROCÉDÉ POUR TRAITER DES MALADIES PULMONAIRES EN UTILISANT DES COMPOSÉS INHIBITEURS DE KINASE RHO
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2010065782A1

  公开（公告）日：2010-06-10

  This invention relates to methods of treating pulmonary diseases in patients that beta adrenergic receptor agonist therapy is not effective. The method comprises the steps of: identifying a patient who suffers from a pulmonary disease and has reduced responsiveness to treatment with one or more beta adrenergic receptor agonists, and administering to the patient an effective amount of a Rho kinase inhibitor compound, wherein said pulmonary disease is selected from the group consisting of: asthma, chronic obstructive pulmonary disease, respiratory tract illness caused by respiratory syncytial virus infection such as RSV-induced wheezing, airway hyperreactivity, or bronchiolitis, bronchiectasis, alpha-1-antitrypsin deficiency, lymphangioleiomyomatosis, cystic fibrosis, bronchiolitis or wheezing caused by agents other than respiratory syncytial virus, chronic bronchitis, and occupational lung diseases.
• Hough; Nalwalk; Li, Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 283, # 3, p. 1534 - 1543
  作者：Hough、Nalwalk、Li、Leurs、Menge、Timmerman、Carlile、Cioffi、Wentland

  DOI：——

  日期：——