3-Methyl-3-[(1-methylcyclobutyl)methylsulfinylmethyl]oxetane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 英文名称: 3-Methyl-3-[(1-methylcyclobutyl)methylsulfinylmethyl]oxetane
• 英文别名: 3-methyl-3-[(1-methylcyclobutyl)methylsulfinylmethyl]oxetane
• 化学式: C₁₁H₂₀O₂S
• 分子量: 216.34
• InChiKey: HJBMKBMSNYBGNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• ANTIFIBROTIC EFFECTS OF OXETANYL SULFOXIDES
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20170107190A1

  公开（公告）日：2017-04-20

  A compound, or a pharmaceutically acceptable salt thereof, having a structure of wherein Z is aryl or substituted aryl, heteroaryl, or substituted heteroaryl; X is —S—, —S(O)—, or S(O) 2 —; R 20 and R 21 are each independently H, alkyl, substituted alkyl, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, aryl, substituted aryl, or halogenated alkyl; one of R 22 , R 23 , and R 24 is —O— and the others of R 22 , R 23 and R 24 are independently —CH 2 —, or —C(R 13 )— wherein R 13 is alkyl, alkenyl, alkynyl, trialkylsilyl group, or —(CH 2 ) m OR 15 , wherein R 15 is alkyl or an aryl and m is an integer in the range of 1 to 10; and R 25 is H, alkyl, substituted alkyl, halogen, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, aryl, substituted aryl, heteroaryl, substituted heteroaryl, C 1 -C 3 alkoxy, aryloxy, or —(CH 2 ) q OR 17 , wherein R 17 is alkyl an aryl and q is an integer in the range of 1 to 10.

  一种化合物或其药学上可接受的盐，其结构为：其中Z是芳基或取代芳基，杂芳基或取代杂芳基；X是-S-，-S（O）-或S（O）2-；R20和R21各自独立地为H，烷基，取代烷基，烯基，取代烯基，炔基，取代炔基，芳基，取代芳基或卤代烷基；R22、R23和R24中的一个是-O-，其余的R22、R23和R24各自独立地为-CH2-或-C（R13）-，其中R13为烷基，烯基，炔基，三烷基硅基团或-(CH2)mOR15，其中R15为烷基或芳基，m为1至10之间的整数；R25为H，烷基，取代烷基，卤素，烯基，取代烯基，炔基，取代炔基，芳基，取代芳基，杂芳基，取代杂芳基，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之间的整数。
• 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。
• 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.
• US9200035B2
  申请人：——

  公开号：US9200035B2

  公开（公告）日：2015-12-01