(R)-N-[4-{1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-(4-pyridyl)ethyl}-phenyl]-N'-(phenylsulphonyl) urea, hydrochloride

• 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: (R)-N-[4-{1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-(4-pyridyl)ethyl}-phenyl]-N'-(phenylsulphonyl) urea, hydrochloride
• 英文别名: 1-(benzenesulfonyl)-3-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]urea;hydrochloride
• 化学式: C₃₂H₃₃N₃O₅S*ClH
• 分子量: 608.158
• InChiKey: CKGQCNXNULUYTL-XXIQNXCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异氰酸苯磺酰酯 、 4-[1-(R)-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-pyridyl)ethyl]aniline 、 乙醚 、 二氯甲烷 在 氮气 作用下， 反应 0.5h， 生成 (R)-N-[4-{1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-(4-pyridyl)ethyl}-phenyl]-N'-(phenylsulphonyl) urea, hydrochloride
  参考文献：
  名称：

  Tri-substituted phenyl derivatives useful as PDE IV inhibitors

  摘要：

  三取代苯基衍生物及含有其的制药组合物。在一个优选实施例中，化合物具有通式（2）： ##STR1## 其中L最好为—OR；R.sup.a最好为可选取代的烷基基团；R最好为可选取代的环烷基基团；R.sup.3最好为氢；氢，R.sup.4最好为—(CH.sub.2).sub.t Ar，—(CH.sub.2).sub.t —Ar—(L.sup.1).sub.n —Ar'或—(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar；R.sup.5最好为—(CH.sub.2).sub.t Ar，—(CH.sub.2).sub.t —Ar—(L.sup.1).sub.n —Ar'或—(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar；R.sup.6和R.sup.7最好为氢，L.sup.1和L.sup.2最好为双价连接基团；Ar最好为单环或双环芳基或杂芳基团；Ar'最好为Ar或含Ar基团。该发明的化合物是有效的和选择性的磷酸二酯酶IV抑制剂，可用于预防和治疗与不必要的炎症反应或肌肉痉挛有关的各种疾病，如哮喘。

  公开号：

  US05849770A1

文献信息

• Tri-substituted phenyl derivatives useful as PDE IV inhibitors
  申请人：Celltech Therapeutics Ltd.

  公开号：US05849770A1

  公开（公告）日：1998-12-15

  Tri-substituted phenyl derivatives and pharmaceutical compositions containing them. In a preferred embodiment, the compounds have the general formula (2): ##STR1## wherein L is preferably --OR; R.sup.a is preferably an optionally substituted alkyl group; R is preferably an optionally substituted cycloalkyl group; R.sup.3 is preferably hydrogen; hydrogen, R.sup.4 is preferably --(CH.sub.2).sub.t Ar, --(CH.sub.2).sub.t --Ar--(L.sup.1).sub.n --Ar' or --(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar; R.sup.5 is preferably --(CH.sub.2).sub.t Ar, --(CH.sub.2).sub.t --Ar--(L.sup.1).sub.n --Ar' or --(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar; R.sup.6 and R.sup.7 are preferably hydrogen, L.sup.1 and L.sup.2 are preferably divalent linking groups; Ar is preferably a monocyclic or bicyclic aryl or heteroaryl group; and Ar' is preferably Ar or an Ar containing group. Compounds of the invention are potent and selective phosphodiesterase type IV inhibitors and are useful in the prophylaxis and treatment of various diseases, such as asthma, which are associated with an unwanted inflammatory response or muscular spasm.

  三取代苯基衍生物及含有其的制药组合物。在一个优选实施例中，化合物具有通式（2）： ##STR1## 其中L最好为—OR；R.sup.a最好为可选取代的烷基基团；R最好为可选取代的环烷基基团；R.sup.3最好为氢；氢，R.sup.4最好为—(CH.sub.2).sub.t Ar，—(CH.sub.2).sub.t —Ar—(L.sup.1).sub.n —Ar'或—(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar；R.sup.5最好为—(CH.sub.2).sub.t Ar，—(CH.sub.2).sub.t —Ar—(L.sup.1).sub.n —Ar'或—(CH.sub.2).sub.t ArN(R.sup.b)CX.sup.1 N(R.sup.b)L.sup.2 (Alk).sub.m Ar；R.sup.6和R.sup.7最好为氢，L.sup.1和L.sup.2最好为双价连接基团；Ar最好为单环或双环芳基或杂芳基团；Ar'最好为Ar或含Ar基团。该发明的化合物是有效的和选择性的磷酸二酯酶IV抑制剂，可用于预防和治疗与不必要的炎症反应或肌肉痉挛有关的各种疾病，如哮喘。