[6-[4-[[2-Hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-ylmethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [6-[4-[[2-Hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-ylmethanone
• 化学式: C₂₆H₃₆N₄O₅S
• 分子量: 516.7
• InChiKey: UQIASPUEOFLYGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Phenoxypropanolamines, preparation and therapeutic use thereof
  申请人：——

  公开号：US20030105135A1

  公开（公告）日：2003-06-05

  The invention concerns phenoxypropanolamines of formula (I) wherein: R 1 represents a hydrogen, a —S(O) z —(C 1 -C 4 )Alk-R′ group, R′ being H, phenyl or (C 1 -C 4 ) alkoxy), —NHSO 2 —(C 1 -C 4 ) Alk, NHCO(C 1 -C 4 ) Alk; m and n are each independently 0, 1 or 2; R 2 and R 3 represent independently a hydrogen, a (C 5 -C 6 ) alkyl, (C 3 -C 6 ) cycloalkyl, (C 1 -C 4 ) alkoxy, hydroxy(C 1 -C 4 )alkyl, (C 1 -C 4 ) alkoxy-(C 1 -C 4 )alkyl, mono-or di-(C 1 -C 4 )Alk-amino(C 1 -C 4 )alkyl, pyrrolidino-(C 1 -C 4 )alkyl, phenylamino, (C 2 -C 4 )alkenyl group, or an aromatic or heteroaromatic group substituted or not with a group R 4 ; R 2 and R 3 can also together constitute a saturated or unsaturated cycle of 3 to 6 atoms capable of bearing a (C 1 -C 4 ) alkyl, amino(C 1 -C 4 )alkyl, carbamoyl or benzyl substituent; R 4 represents a hydrogen or a halogen, a —CO(C 1 -C 4 )Alk group or a —NHSO 2 —(C 1 -C 4 )Alk group; a (C 1 -C 4 )Alk group, a (C 1 -C 4 )alkoxy group, a halogen, —COOH, —COO(C 1 -C 4 )Alk, —CN, —CONR 3 R 4 , —NO 2 , —SO 2 NH 2 , —NHSO 2 (C 1 -C 4 )Alk; z is 1 or 2; and their salts and solvates. Said compounds have an agonist activity with respect to &bgr;-3 adrenergic receptors.

  该发明涉及化合物(I)，其中：R1代表氢，—S(O)z—(C1-C4)Alk-R′基团，其中R′为H、苯基或(C1-C4)烷氧基，—NHSO2—(C1-C4)Alk，NHCO(C1-C4)Alk；m和n各自独立地为0、1或2；R2和R3分别独立地代表氢、(C5-C6)烷基、(C3-C6)环烷基、(C1-C4)烷氧基、羟基(C1-C4)烷基、(C1-C4)烷氧基-(C1-C4)烷基、单或双-(C1-C4)Alk-氨基(C1-C4)烷基、吡咯烷基-(C1-C4)烷基、苯基氨基、(C2-C4)烯基基团，或被取代或未取代的芳香或杂芳基团，该基团取代或未取代有一个R4基团；R2和R3还可以共同构成3到6个原子的饱和或不饱和环，能够承载(C1-C4)烷基、氨基(C1-C4)烷基、氨基甲酰基或苄基取代基；R4代表氢或卤素，—CO(C1-C4)Alk基团或—NHSO2—(C1-C4)Alk基团；(C1-C4)Alk基团、(C1-C4)烷氧基、卤素、—COOH、—COO(C1-C4)Alk、—CN、—CONR3R4、—NO2、—SO2NH2、—NHSO2(C1-C4)Alk；z为1或2；以及它们的盐和溶剂化合物。这些化合物对β-3肾上腺素能受体具有激动剂活性。
• PHENOXYPROPANOLAMINES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE
  申请人：SANOFI-SYNTHELABO

  公开号：EP1242404B1

  公开（公告）日：2004-07-07
• US6852736B2
  申请人：——

  公开号：US6852736B2

  公开（公告）日：2005-02-08