2-[[5-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid;4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[5-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid;4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid
• 英文别名: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid;4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid
• 化学式: C42H50N2O13S4
• 分子量: 919.1
• InChiKey: HMKVCUIBNIDGRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.97
• 重原子数：
  61
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  332
• 氢给体数：
  4
• 氢受体数：
  18

文献信息

• [EN] HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF<br/>[FR] DÉRIVÉS DE SPIROPIPÉRIDINYLE SUBSTITUÉS PAR HÉTÉROARYLE ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：NOVARTIS AG

  公开号：WO2022034529A1

  公开（公告）日：2022-02-17

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein R1 R2, R4 and X1 are defeined herein, a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了化合物(I)或其药用可接受盐；(I)中R1、R2、R4和X1的定义见本文，本发明化合物的制备方法以及其治疗用途。本发明还提供了药理活性剂的组合和药物组合物。
• METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE
  申请人：Incozen Therapeutics Pvt. Ltd.

  公开号：EP2948148A1

  公开（公告）日：2015-12-02
• [EN] METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE<br/>[FR] PROCÉDÉS DE TRAITEMENT DE TROUBLES AUTO-IMMUNS, RESPIRATOIRES ET INFLAMMATOIRES PAR INHALATION DE N-OXYDE DE ROFLUMILAST
  申请人：INCOZEN THERAPEUTICS PVT LTD

  公开号：WO2014115127A1

  公开（公告）日：2014-07-31

  The present disclosure relates to pharmaceutical compositions useful for (and to a method of) treating autoimmune, respiratory and/or inflammatory diseases and conditions. The method involves administering to a subject in need thereof roflumilast N-oxide by inhalation. The present disclosure particularly relates to the treatment of asthma and chronic obstructive pulmonary disease (COPD) by administering roflumilast N-oxide by inhalation.