2-[(3-methyloxetan-3-yl)methylsulfinyl]ethyl N-[(E,4R)-7,7-difluoro-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-[(3-methyloxetan-3-yl)methylsulfinyl]ethyl N-[(E,4R)-7,7-difluoro-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
• 化学式: C₂₆H₄₅F₂N₃O₆S
• 分子量: 565.7
• InChiKey: JQYBSCXGFGBZNI-JLKZLRIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] COMPOUNDS FOR BONE HEALING<br/>[FR] COMPOSÉS DE GUÉRISON OSSEUSE
  申请人：UNIV OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：WO2017040537A1

  公开（公告）日：2017-03-09

  Disclosed herein are embodiments of a method of accelerating bone healing in a subject in need thereof, comprising administering to the subject a compound disclosed here. The method may further comprise selecting or identifying a subject that has bone damage, or is a risk of developing bone damage. The compound may be administered after bone damage has occurred, or it may be administered prophylactically. The compound may be administered to a subject that has not and/or will not be exposed to radiation. In other embodiments, the subject has been and/or will be exposed to radiation.

  本文披露了一种加速骨愈合的方法的实施例，包括向需要此类治疗的受试者施用本文披露的化合物。该方法还可能包括选择或识别具有骨损伤或患有骨损伤风险的受试者。该化合物可以在骨损伤发生后施用，也可以预防性地施用。该化合物可以用于未曾或不会接触辐射的受试者。在其他实施例中，受试者已经或将会接触到辐射。
• BIFUNCTIONAL COMPOUNDS
  申请人：University of Pittsburgh - of the Commonwealth System of Higher Education

  公开号：US20160176836A1

  公开（公告）日：2016-06-23

  A compound having the formula: wherein X is S, SO or SO 2 ; one of R 1 , R 2 , and R 3 is O and the others of R 1 , R 2 and R 3 are independently, the same or different, CH 2 , or CR 13 wherein, R 13 is an alkyl group, an alkenyl group, an alkynyl group, a trialkylsilyl group, or —(CH 2 ) m OR 15 , wherein R 15 is an alkyl group or an aryl group and m is an integer in the range of 1 to 10, and one of R 5 , R 6 , and R 7 is O and the others of R 5 , R 6 and R 7 are independently, the same or different, CH 2 , or CR 14 wherein, R 14 is an alkyl group, an alkenyl group, an alkynyl group, a trialkylsilyl group, or —(CH 2 ) n OR 16 , wherein R 16 is an alkyl group or an aryl group and n is an integer in the range of 1 to 10; R 4 and R 8 are independently, the same or different, H, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, a heteroaryl group, a C 1 -C 3 alkoxy group, an aryloxy group, or —(CH 2 ) q OR 17 , wherein R 17 is an alkyl group or an aryl group and q is an integer in the range of 1 to 10, provided that R 4 is not a C 1 -C 3 alkoxy group or an aryloxy group when R 1 or R 3 is O and R 8 is not a C 1 -C 3 alkoxy group or an aryloxy group when R 5 or R 7 is O; R 9 , R 10 , R 11 and R 12 are independently, the same or different, H, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group.

  一种化合物，其化学式为：其中X为S、SO或SO2；R1、R2和R3中的一个为O，其余R1、R2和R3分别独立地为相同或不同的CH2或CR13，其中R13为烷基、烯基、炔基、三烷基硅基或—(CH2)mOR15，其中R15为烷基或芳基，m为1至10的整数，R5、R6和R7中的一个为O，其余R5、R6和R7分别独立地为相同或不同的CH2或CR14，其中R14为烷基、烯基、炔基、三烷基硅基或—(CH2)nOR16，其中R16为烷基或芳基，n为1至10的整数；R4和R8分别独立地为相同或不同的H、烷基、烯基、炔基、芳基、杂芳基、C1-C3烷氧基、芳氧基或—(CH2)qOR17，其中R17为烷基或芳基，q为1至10的整数，但当R1或R3为O时，R4不为C1-C3烷氧基或芳氧基，当R5或R7为O时，R8不为C1-C3烷氧基或芳氧基；R9、R10、R11和R12分别独立地为相同或不同的H、烷基、烯基、炔基或芳基。
• Compounds for bone healing
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US10251860B2

  公开（公告）日：2019-04-09

  Disclosed herein are embodiments of a method of accelerating bone healing in a subject in need thereof, comprising administering to the subject a compound disclosed here. The method may further comprise selecting or identifying a subject that has bone damage, or is a risk of developing bone damage. The compound may be administered after bone damage has occurred, or it may be administered prophylactically. The compound may be administered to a subject that has not and/or will not be exposed to radiation. In other embodiments, the subject has been and/or will be exposed to radiation.

  本文公开了一种加速有需要的受试者骨愈合的方法的实施例，该方法包括向受试者施用本文公开的化合物。该方法可进一步包括选择或识别有骨质损伤或有发生骨质损伤风险的受试者。该化合物可在骨损伤发生后施用，也可预防性施用。化合物可施用给未曾和/或不会暴露于辐射的受试者。在其他实施例中，受试者已经和/或将要暴露于辐射。
• US20140256654A1
  申请人：——

  公开号：US20140256654A1

  公开（公告）日：2014-09-11
• COMPOUNDS FOR BONE HEALING
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20180185322A1

  公开（公告）日：2018-07-05

  Disclosed herein are embodiments of a method of accelerating bone healing in a subject in need thereof, comprising administering to the subject a compound disclosed here. The method may further comprise selecting or identifying a subject that has bone damage, or is a risk of developing bone damage. The compound may be administered after bone damage has occurred, or it may be administered prophylactically. The compound may be administered to a subject that has not and/or will not be exposed to radiation. In other embodiments, the subject has been and/or will be exposed to radiation.