5-Dibutylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-Dibutylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
• 英文别名: 5-(dibutylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
• 化学式: C₂₃H₃₁N₃O₃S
• 分子量: 429.6
• InChiKey: HTBQRHCUFQDSRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  83.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0558258A1

  公开（公告）日：1993-09-01

  Compounds of the formula inhibit endothelin, wherein:    one of X and Y is N and the other is O; R is naphthyl or naphthyl substituted with R¹, R² and R³;    R¹, R² and R³ are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z¹, Z² and Z³; halo; hydroxyl; cyano; nitro; -C(O)H; -C(O)R⁶; CO₂H; -CO₂R⁶; -SH; -S(O)nR⁶; -S(O)m-OH; -S(O)m-OR⁶; -O-S(O)m-R⁶; -O-S(O)mOH; -O-S(O)m-OR⁶; -Z⁴-NR⁷R⁸; or -Z⁴-N(R¹¹)-Z⁵⁻NR⁹R¹⁰;    R⁴ and R⁵ are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z¹, Z² and Z³; halo; hydroxyl; cyano; nitro; -C(O)H; -C(O)R⁶; -CO₂H; -CO₂R⁶; -SH, -S(O)nR⁶; -S(O)m-OH; -S(O)m-OR⁶; -O-S(O)m-R⁶; -O-S(O)mOH; -O-S(O)m-OR⁶; -Z⁴-NR⁷R⁸; -Z⁴-N(R¹¹)-Z⁵⁻ NR⁹R¹⁰; or R⁴ and R⁵ together are alkylene or alkenylene (either of which may be substituted with Z¹, Z² and Z³), completing a 4- to 8-membered saturated, unsaturated or aromatic ring together with the carbon atoms to which they are attached.

  式中的化合物 抑制内皮素，其中 X 和 Y 中的一个是 N，另一个是 O；R 是萘基或被 R¹、R² 和 R³ 取代的萘基； R¹、R² 和 R³ 各自独立地为氢；烷基、烯基、炔基、烷氧基、环烷基、环烷基烷基、环烯基、环炔基烷基、芳基或芳烷基，其中任何一个可被 Z¹、Z² 和 Z³ 取代；卤素；羟基；氰基；硝基；-C(O)H；-C(O)R⁶；CO₂H；-CO₂R⁶；-SH；-S(O)nR⁶；-S(O)m-OH；-S(O)m-OR⁶；-O-S(O)m-R⁶；-O-S(O)mOH；-O-S(O)m-OR⁶；-⁴-NR⁷R⁸；或-Z⁴-N(R¹)-Z⁵-NR⁹R¹⁰； R⁴ 和 R⁵ 各自独立地为氢；烷基、烯基、炔基、烷氧基、环烷基、环烷基烷基、环烯基、环炔基烷基、芳基或芳烷基，其中任何一个可被 Z¹、Z² 和 Z³ 取代；卤素；羟基；氰基；硝基；-C(O)H；-C(O)R⁶；-CO₂H；-CO₂R⁶；-SH，-S(O)nR⁶；-S(O)m-OH；-S(O)m-OR⁶；-O-S(O)m-R⁶；-O-S(O)mOH；-O-S(O)m-OR⁶；-Z⁴-NR⁷R⁸；-Z⁴-N(R¹¹)-Z⁵- NR⁹R¹⁰；或 R⁴ 和 R⁵ 合在一起是亚烷基或烯基（其中任一可被 Z¹、Z² 和 Z³ 取代），与它们所连接的碳原子一起完成一个 4 至 8 元饱和、不饱和或芳香环。
• US5378715A
  申请人：——

  公开号：US5378715A

  公开（公告）日：1995-01-03
• [EN] PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS<br/>[FR] UTILISATIONS PHARMACEUTIQUES ET VETERINAIRES D'ANTAGONISTES DE L'ENDOTHELINE ET APPLICATIONS ASSOCIEES
  申请人：TEXAS BIOTECHNOLOGY CORP

  公开号：WO2001049289A1

  公开（公告）日：2001-07-12

  Pharmaceutical and veterinary uses of endothelin antagonists are provided. In particular, methods of treatment of laminitis, such as equine and bovine laminitis, by administration of one or more endothelin antagonists are provided. Methods of treatment, prevention, or amelioration of one or more symptoms of menopause; osteoporosis and metabolic bone disorders; climacteric disorders including hot flushes or flashes, abnormal clotting patterns, urogenital discomfort and increased incidence of cardiovascular disease, and other disorders associated with the reduction in ovarian function in women; pre-eclampsia; and control and management of labor during pregnancy by administration of endothelin antagonists are also provided.