(+/-)-2-[4-(4-Chlorophenoxy)-phenyl]-4-(2-methylpropyl)-2-oxo-1,3,2-oxazaphosphorepane | 565231-10-9

• 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-[4-(4-Chlorophenoxy)-phenyl]-4-(2-methylpropyl)-2-oxo-1,3,2-oxazaphosphorepane
• 英文别名: 2-[4-(4-Chlorophenoxy)phenyl]-4-(2-methylpropyl)-1,3,2lambda5-oxazaphosphepane 2-oxide；2-[4-(4-chlorophenoxy)phenyl]-4-(2-methylpropyl)-1,3,2λ5-oxazaphosphepane 2-oxide
• CAS: 565231-10-9
• 化学式: C₂₀H₂₅ClNO₃P
• 分子量: 393.85
• InChiKey: ZUJWKONXDVISMG-UHFFFAOYSA-N

物化性质

• 沸点：
  479.2±51.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• MMP inhibitors
  申请人：——

  公开号：US20030191092A1

  公开（公告）日：2003-10-09

  Novel compounds according to formula I 1 n is 0, 1, 2 or 3; X represents hydroxamic acid (CONHOH), carboxylic acid, phosphonic acid, acetylthiomethyl group or a mercaptomethyl group; R2, R10 and R11 independently represent hydrogen or (C 1-8 )alkyl, (C 2-6 )alkenyl, (C 3-8 )cycloalkyl, aryl(C 0-6 )alkyl or heteroaryl(C 0-6 )alkyl, all of which may optionally be substituted; R3 and R4 independently represent hydrogen, hydroxy or alkoxy; provided that if A, A′, Z and R5 are all bonds, and s and t are both 0 (zero), then R6 is different from hydrogen, and that at least one of R3, R4, R10 and R11 is different from hydrogen; or a salt, hydrate or solvate thereof; pharmaceutical compositions comprising said compound; therapeutical methods comprising administering said compounds; and the use of said compounds in the manufacture of medicaments.

  符合式 I 的新型化合物 1 n 为 0、1、2 或 3； X 代表羟肟酸 (CONHOH)、羧酸、膦酸、乙酰硫甲基或巯甲基； R2、R10 和 R11 各自代表氢或 (C 1-8 烷基、(C 2-6 )烯基、(C 3-8 环烷基、芳基（C 0-6 烷基或杂芳基（C 0-6 R3和R4独立地代表氢、羟基或烷氧基；但如果A、A′、Z和R5均为键，且s和t均为0（零），则R6不同于氢，且R3、R4、R10和R11中至少有一个不同于氢； 或其盐、水合物或溶液； 包含所述化合物的药物组合物； 包含施用所述化合物的治疗方法； 以及 使用所述化合物制造药物。
• MMP INHIBITORS
  申请人：LEO PHARMA A/S

  公开号：EP1470138B1

  公开（公告）日：2006-01-18
• US6784169B2
  申请人：——

  公开号：US6784169B2

  公开（公告）日：2004-08-31
• [EN] MMP INHIBITORS<br/>[FR] INHIBITEURS DE MMP
  申请人：LEO PHARMA AS

  公开号：WO2003059921A1

  公开（公告）日：2003-07-24

  Novel compounds according to formula I n is 0, 1, 2 or 3; X represents hydroxamic acid (CONHOH), carboxylic acid, phosphonic acid, acetylthiomethyl group or a mercaptomethyl group;R2, R10 and R11 independently represent hydrogen or (Cl_8)alkyl, (CZ_6)alkenyl, (C3_$)cycloalkyl, aryl(Co_6)alkyl or heteroaryl(Co_6)alkyl, all of which may optionally be substituted; R3 and R4 independently represent hydrogen, hydroxy or alkoxy; provided that if A, A', Z and R5 are all bonds, and s and t are both 0 (zero), then R6 is different from hydrogen, and that at least one of R3, R4, R10 and R11 is different from hydrogen; or a salt, hydrate or solvate thereof; pharmaceutical compositions comprising said compound; therapeutical methods comprising administering said compounds; and the use of said compounds in the manufacture of medicaments.