[6-(n-butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]-phenyl]methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-(n-butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]-phenyl]methanone
• 英文别名: [2-(4-n-butylsulfonoylphenyl)-6-n-butylsulfonoylbenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone；[6-(n-butylsulphonyl)-2-[4-(n-butylsulphonyl)phenyl]benzo[b]thien-3-yl]›4-[2-(1-piperidyl)ethoxy]phenyl-methanone；[6-(n-Butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]-phenyl] methanone；[6-(n-Butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl] methanone；[6-(n-Butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1piperidinyl)ethoxy]-phenyl]methanone；[6-butylsulfonyl-2-(4-butylsulfonylphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• 化学式: C₃₆H₄₃NO₆S₃
• 分子量: 681.939
• InChiKey: PEJPCPSPGMHTQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [6-(n-butylsulfonoyl)-2-[4-(n-butylsulfonoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]-phenyl]methanone 、 双氧水 以 甲醇 、 乙醇 、 乙酸乙酯 为溶剂， 生成 [2-(4-n-Butylsulfonoylphenyl)-6-n-butylsulfonoylbenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone N-oxide
  参考文献：
  名称：

  Benzothiophenes, formulations containing same, and methods

  摘要：

  这项发明提供了新型苯并噻吩化合物。

  公开号：

  US05731342A1

文献信息

• Sulfonate and carbamate derivatives of 3-aroylbenzo[B]thiophenes
  申请人：Eli Lilly and Company

  公开号：US05599833A1

  公开（公告）日：1997-02-04

  The present invention relates to sulfonate and carbamate derivatives of 3-aroylbenzo[b]thiophenes, pharmaceutical formulations containing these compounds and methods of using such compounds for inhibiting the loss of bone, lowering serum cholesterol levels and therapeutically treating hormone dependent mammalian breast and uterine carcinoma.

  本发明涉及3-芳香基苯并噻吩的磺酸盐和氨基甲酸酯衍生物，包含这些化合物的制药组合物以及使用这些化合物抑制骨质流失，降低血清胆固醇水平和治疗激素依赖性哺乳动物乳腺和子宫癌的方法。
• Sulfonate and carbamate derivatives of 3-aroylbenzo[b] thiophenes
  申请人：Eli Lilly and Company

  公开号：US05605924A1

  公开（公告）日：1997-02-25

  The present invention relates to compounds of the formula ##STR1## where X is a bond or --CH2--; R.sup.2 is pyrrolidino; R is OH, --OSO.sub.2 --(CH.sub.2).sub.n --CH.sub.3 or ##STR2## R.sup.1 is hydrogen, OH, fluoro, chloro, --OSO.sub.2 --(CH.sub.2).sub.n --CH.sub.3 or ##STR3## each R.sup.3 is independently C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl, unsubstituted or substituted phenyl where the substituent is fluoro, chloro, C.sub.1 -C.sub.3 alkyl or C.sub.1 -C.sub.3 alkoxy; each n is independently 3, 4 or 5; and pharmaceutically acceptable salts and solvates thereof; provided that at least one of R and R.sup.1 is ##STR4## The invention also relates to methods of use of the compounds of formula I and pharmaceutical compositions which comprise compounds of formula I.

  本发明涉及式为##STR1##的化合物，其中X为键或--CH2--; R.sup.2为吡咯烷基; R为OH，--OSO.sub.2 --(CH.sub.2).sub.n --CH.sub.3或##STR2## R.sup.1为氢，OH，氟，氯，--OSO.sub.2 --(CH.sub.2).sub.n --CH.sub.3或##STR3##每个R.sup.3独立地为C.sub.1 -C.sub.6烷基，C.sub.3 -C.sub.6环烷基，未取代或取代苯基，其中取代基为氟，氯，C.sub.1 -C.sub.3烷基或C.sub.1 -C.sub.3烷氧基;每个n独立地为3,4或5;以及其药学上可接受的盐和溶剂合物; 前提是R和R.sup.1中至少有一个为##STR4## 本发明还涉及使用式I化合物的方法和包含式I化合物的药物组合物。
• Methods of treating neuropeptide Y-associated conditions
  申请人：Eli Lilly and Company

  公开号：US06221838B1

  公开（公告）日：2001-04-24

  This invention describes methods of treating conditions associated with an excess of neuropeptide Y which comprises administering an analog of an obesity protein. This invention further describes methods of treating conditions associated with an excess of neuropeptide Y which coomprises administering an analog of an obesity protein in combination with a neuropeptide Y antagonist. This invention demonstrates that the obesity protein acts by reducing the production of neuropeptide Y by the hypothalamus.

  本发明描述了治疗与神经肽Y过量相关的疾病的方法，包括给予肥胖蛋白的类似物。本发明进一步描述了治疗与神经肽Y过量相关的疾病的方法，包括给予肥胖蛋白的类似物和神经肽Y拮抗剂的组合。本发明证明肥胖蛋白通过减少下丘脑产生神经肽Y的作用。
• Sulfonate and carbamate derivatives of 3-aroylbenzo\x9bb!thiophenes
  申请人：Eli Lilly and Company

  公开号：US05798351A1

  公开（公告）日：1998-08-25

  The present invention relates to sulfonate and carbamate derivatives of 3-aroylbenzo\x9bb!thiophenes, pharmaceutical formulations containing these compounds and methods of using such compounds for inhibiting the loss of bone, lowering serum cholesterol levels and therapeutically treating hormone dependent mammalian breast and uterine carcinoma.

  本发明涉及3-芳酰基苯并[b]噻吩的磺酸盐和氨基甲酸酯衍生物，含有这些化合物的制药配方以及使用这些化合物抑制骨质流失、降低血清胆固醇水平和治疗激素依赖性哺乳动物乳腺和子宫癌的方法。
• Methods of treating nueropeptide Y-associated conditions
  申请人：Eli Lilly and Company

  公开号：US05972888A1

  公开（公告）日：1999-10-26

  This invention describes methods of treating conditions associated with an excess of neuropeptide Y which comprises administering an obesity protein. This invention also describes methods of treating conditions associated with an excess of neuropeptide Y which comprises administering an obesity protein in combination with a neuropeptide Y antagonist. This invention demonstrates that the obesity protein acts by reducing the production of neuropeptide Y by the hypothalamus.

  该发明描述了一种治疗与神经肽Y过量相关的病症的方法，包括给予一种肥胖蛋白质。该发明还描述了一种治疗与神经肽Y过量相关的病症的方法，包括联合给予一种肥胖蛋白质和神经肽Y拮抗剂。该发明证明了肥胖蛋白质通过减少下丘脑产生神经肽Y的作用。