1-Methyl-4-[3-(4-phenoxyphenoxy)propoxy]benzene | 58020-67-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Methyl-4-[3-(4-phenoxyphenoxy)propoxy]benzene
• CAS: 58020-67-0
• 化学式: C₂₂H₂₂O₃
• 分子量: 334.415
• InChiKey: JLUNCRCGCKYECS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] INFLAMMATORY DISEASE TREATMENT<br/>[FR] TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：PULMAGEN THERAPEUTICS INFLAMMATION LTD

  公开号：WO2011098801A1

  公开（公告）日：2011-08-18

  Compounds of formula (I) are useful in the treatment of inflammatory disease wherein at least 95% by weight of the said compound of formula (I) is in the stereoconfiguration shown in formula (IA) and less than 5% by weight is in the stereoconfiguration shown in formula (IB) in which formulae (I), (IA) and (IB): R is CH3- or hydrogen; X1 is -OR1, -S(O)nR2 or -NR3R4 and X2 is-OH; or X1 and X2 taken together represent a radical *-OC(O)NH-** or *-C(O)N(H)O-** wherein the bond marked * is attached to the carbon to which W and R are attached, and the bond marked ** is attached to the carbonyl carbon; R1 and R2 are independently C1-6 alkyl optionally substituted with one or more halogen atoms; C1-6 alkoxyalkyl; or aryl R3 and R4 are independently hydrogen; C1-6 alkyl; aryl; a group -C(Ra)=C(Rb)-C(=O)-Ara wherein Ra and Rb are independently hydrogen or C1-6 alkyl and Ara is aryl; or a group -Arb-C(=O)-Arc wherein Arb and Arc are aryl; or -C(=O)O-Rc wherein Rc is an aryl or C1-6alkyl; or R3 and R4 taken together with the nitrogen to which they are attached form a saturated ring of 3 to 7 ring members or an unsaturated ring of 5 to 7 ring members; n is 0,1 or 2; W is a group which when linked to the -C(R)(X1)C(=O)X2 results in a compound (I) having PPARγ agonist activity.