2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]phenyl]benzoic acid

• 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: 2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]phenyl]benzoic acid
• 化学式: C₂₈H₃₃NO₅
• 分子量: 463.6
• InChiKey: UQLRYNHEPKDABO-LNDXNOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  99
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof
  申请人：Kobayashi Junichi

  公开号：US20060128807A1

  公开（公告）日：2006-06-15

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 and R 2 are each hydrogen or lower alkyl; R 3 , R 4 , R 5 and R 6 are each hydrogen, halogen, lower alkyl or lower alkoxy; R 7 and R 8 are each hydrogen, halogen, lower alkyl, halo-lower alkyl, lower alkoxy, cycloalkyl, aryl, heteroaryl, cyano, a hydroxyl group, lower acyl, carboxy or the like; R 9 is —C(O)—R 10 , -A 1 -C(O)—R 10 , —O-A 2 -C(O)—R 10 or a tetrazol-5-yl group, which exhibit potent and selective β3-adrenoceptor stimulating activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供一般式（I）所表示的化合物或其药学上可接受的盐，其中R1和R2均为氢或较低的烷基；R3、R4、R5和R6均为氢、卤素、较低的烷基或较低的烷氧基；R7和R8均为氢、卤素、较低的烷基、卤代较低的烷基、较低的烷氧基、环烷基、芳基、杂芳基、氰基、羟基、较低的酰基、羧基或类似物；R9为—C（O）—R10、-A1-C（O）—R10、—O-A2-C（O）—R10或四唑-5-基团，其表现出强效和选择性的β3肾上腺素能受体刺激活性。本发明还提供含有该化合物的药物组合物及其用途。
• PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1938837A1

  公开（公告）日：2008-07-02

  The present invention provides pharmaceuticals for the prevention or treatment of diseases associated with decrease in tear. That is, the present invention provides pharmaceuticals for the prevention or treatment of diseases associated with decrease in tear such as dry eye, dry disorders of cornea and conjunctiva, disorders of the keratoconjunctival epithelium, syndrome with decrease in tear secretion, xerophthalmia, dry eye due to aging, ophthalmopathy in Stevens-Johnson syndrome, ophthalmopathy in Sjögren's syndrome, keratoconjunctival ulcer, dryness in wearing of contact lens or the like, which comprises a β3 adrenoceptor stimulant. The present invention also provides a combination pharmaceutical comprising a β3 adrenoceptor stimulant and a β2 adrenoceptor stimulant.

  本发明提供了用于预防或治疗与泪液减少有关的疾病的药物。也就是说，本发明提供了用于预防或治疗与泪液减少有关的疾病的药物，如干眼症、角膜和结膜的干燥紊乱、角结膜上皮紊乱、泪液分泌减少综合征、干眼症、衰老引起的干眼症、史蒂文斯-约翰逊综合征的眼病、斯约格伦综合征的眼病、角结膜溃疡、佩戴隐形眼镜时的干涩等，其中包含一种 β3肾上腺素受体兴奋剂。本发明还提供了一种由 β3 肾上腺素受体兴奋剂和 β2 肾上腺素受体兴奋剂组成的复合药物。
• PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1955707A1

  公开（公告）日：2008-08-13

  The purpose of the present invention is to provide agents useful for the prevention or treatment of a neuropathic pain. That is, the present invention provides agents for the prevention or treatment of neuropathic pain such as painful diabetic neuropathy, postherpetic neuralgia, trigeminal neuralgia, or postoperative or posttraumatic chronic pain or the like, which comprises a β3 adrenoceptor stimulant as an active ingredient. The present invention also provides a combination of pharmaceuticals comprising a β3 adrenoceptor stimulant in combination with one or more drugs selected from the group consisting of a psychotropic vitamins, a non-steroidal anti-inflammatory drug, an aldose reductase inhibitor, a lidocaine-like anti-arrhythmic drug, an antidepressant and an anticonvulsant.

  本发明的目的是提供用于预防或治疗神经病理性疼痛的制剂。也就是说，本发明提供了用于预防或治疗神经病理性疼痛，如糖尿病神经病变疼痛、带状疱疹后神经痛、三叉神经痛、或术后或创伤后慢性疼痛或类似疼痛的药剂，其中包含β3肾上腺素受体兴奋剂作为活性成分。本发明还提供了一种组合药物，其中包括β3肾上腺素受体兴奋剂与一种或多种药物的组合，这些药物选自精神类维生素、非甾体抗炎药、醛糖还原酶抑制剂、利多卡因类抗心律失常药、抗抑郁药和抗惊厥药。
• AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1593666B1

  公开（公告）日：2008-07-02
• Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid
  申请人：Kobayashi Mamoru

  公开号：US20080306160A1

  公开（公告）日：2008-12-11

  The present invention provides pharmaceuticals for the prevention or treatment of diseases associated with decrease in tear. That is, the present invention provides pharmaceuticals for the prevention or treatment of diseases associated with decrease in tear such as dry eye, dry disorders of cornea and conjunctiva, disorders of the keratoconjunctival epithelium, syndrome with decrease in tear secretion, xerophthalmia, dry eye due to aging, opthalmopathy in Stevens-Johnson syndrome, opthalmopathy in Sjögren's syndrome, keratoconjunctival ulcer, dryness in wearing of contact lens or the like, which comprises a β 3 adrenoceptor stimulant. The present invention also provides a combination pharmaceutical comprising a β 3 adrenoceptor stimulant and a β 2 adrenoceptor stimulant.