(1β,2α,3α,4β)-3-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-propionaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: (1β,2α,3α,4β)-3-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-propionaldehyde
• 英文别名: (1β,2α,3α,4β)-3-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-2-yl]propionaldehyde；3-[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propanal
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: RXMWSJLJIMSCSS-RGOKHQFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium methylsulfinylmethide 、 (1β,2α,3α,4β)-3-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-propionaldehyde 、 4-羧丁基三苯基溴化膦 生成 三苯基氧化膦
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 7-Oxabicycloheptane substituted thio prostaglandin analogs
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0164075A2

  公开（公告）日：1985-12-11

  7-Oxabicycloheptane substituted thio prostaglandin analogs are provided having the structural formula wherein p is 0 to 4; A is CH=CH, (CH2)2, or a single bond; m is 0 to 8; R is H, lower alkyl, alkali metal or tris(hydroxymethyl)-aminomethane; n is 1 to 4; n' is 0, 1 or 2; q is 1 to 12; X is wherein R2 and R3 may be the same or different and are H or lower alkyl; t is 0 to 5; and R1 is H, lower alkyl, aryl, aralkyl, cycloalkyl or cycloalkylalkyl, and including all stereoisomers thereof. The compounds are cardiovascular agents and antiinflammatory agents useful, for example, in the treatment of thrombolytic disease, inflammation and pain.

  7-氧杂双环庚烷取代的硫代前列腺素类似物的结构式为 其中 p 是 0 至 4；A 是 CH=CH、(CH2)2 或单键；m 是 0 至 8；R 是 H、低级烷基、碱金属或三(羟甲基)氨基甲烷；n 是 1 至 4；n'是 0、1 或 2；q 是 1 至 12；X 是 其中 R2 和 R3 可以相同或不同，并且是 H 或低级烷基；t 是 0 至 5；R1 是 H、低级烷基、芳基、芳烷基、环烷基或环烷基烷基，包括其所有立体异构体。 这些化合物是心血管药剂和抗炎药剂，可用于治疗血栓溶解疾病、炎症和疼痛等。
• 7-Oxabicycloheptane substituted prostaglandin analogs
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0164987A2

  公开（公告）日：1985-12-18

  7-Oxabicycloheptane substituted thio prostaglandin analogs are provided having the structural formula wherein R is hydrogen, lower alkyl or alkali metal, R1 is lower alkyl, arylalkyl, aryl, cycloalkyl or cycloalkylalkyl, X is 0, S or NH, A is -CH=CH- or -(CH2)2, p is 0 to 4, n is 1 to 4, n' is 0 to 2, q is 1 to 4 and m is 0 to 8, and including all stereoisomers thereof. The compounds are cardiovascular agents useful, for example, in the treatment of thrombolytic disease; and are antiinflammatory agents useful, for example, in the treatment of rheumatoid arthritis.

  7-氧杂双环庚烷取代的硫代前列腺素类似物具有结构式，其中R为氢、低级烷基或碱金属，R1为低级烷基、芳烷基、芳基、环烷基或环烷基烷基，X为0、S或NH，A为-CH=CH-或-(CH2)2，p为0至4，n为1至4，n'为0至2，q为1至4，m为0至8，并包括其所有立体异构体。 这些化合物是心血管药物，例如用于治疗溶栓疾病；是抗炎药物，例如用于治疗类风湿性关节炎。
• 7-Oxabicycloheptane substituted diamide and its congener prostaglandin analogs
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0207684A2

  公开（公告）日：1987-01-07

  7-Oxabicycloheptane substituted amide prostaglandin analogs are provided having the structural formula wherein m is 0 to 4; A is -CH=CH- or -CH2-CH2-; n is 1 to 5; or a single bond; R is CO2H, CO2alkyl, CO2alkali metal, CO2polyhydroxyamine salt, -CH2OH, wherein R4 and R5 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R4 and R6 being other than hydroxy and lower alkoxy; p is 1 to 4; R' is H or lower alkyl; q is 1 to 12; R2 is H or lower alkyl; and R3 is H, lower alkyl, lower alkenyl, lower alkynyl, aryl, arylalkyl, lower alkoxy, aryloxy, arylalkyloxy, amino, alkylamino arylamino, arylalkylamino, lower (wherein n' is 0, 1 or 2), alkylaminoalkyl, arylaminoalkyl, arylalkylaminoalkyl, alkoxyalkyl, aryloxyalkyl or arylalkoxyalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease

  提供了具有结构式的 7-氧杂双环庚烷取代的酰胺类前列腺素类似物 其中 m 为 0 至 4；A 为 -CH=CH- 或 -CH2-CH2-；n 为 1 至 5； 或单键；R 是 CO2H、CO2 烷基、CO2 碱金属、CO2 聚羟胺盐、-CH2OH、 (其中 n'为 0、1 或 2）、烷基氨基烷基、芳基氨基烷基、芳基烷基氨基烷基、烷氧基烷基、芳氧基烷基或芳基烷氧基烷基。 这些化合物是心血管药物，可用于治疗血栓性疾病等。
• 7-Oxabicycloheptane substituted keto-amide prostaglandin analogs
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0225711A1

  公开（公告）日：1987-06-16

  7-Oxabicycloheptane substituted keto-amide prostaglandin analogs are provided having the structural formula wherein m is 0 to 4; A is -CH = CH- or -CH2-CH2-; n is 1 to 5; Q is -CH=CH-, -CH2-, or a single bond; R is C02H, C02alkyl, C02alkali metal, C02polyhydroxyamine salt, wherein R4 and R5 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R4 and R5 being other than hydroxy and lower alkoxy; p is 1 to 4; R1 is H or lower alkyl; and R2 is H, lower alkyl, lower alkenyl, aryl, arylalkyl, cycloalkyl or cycloalkylalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  提供了具有结构式的 7-氧杂双环庚烷取代酮酰胺前列腺素类似物 其中m为0至4；A为-CH=CH-或-CH2-CH2-；n为1至5；Q为-CH=CH-，-CH2-、 或单键；R 是 C02H、C02 烷基、C02 碱金属、C02 聚羟胺盐、 其中 R4 和 R5 相同或不同，并且是 H、低级烷基、羟基、低级烷氧基或芳基，R4 和 R5 中至少有一个不是羟基和低级烷氧基；p 是 1 至 4；R1 是 H 或低级烷基；R2 是 H、低级烷基、低级烯基、芳基、芳烷基、环烷基或环烷基烷基。 这些化合物是心血管药物，可用于治疗血栓性疾病等。
• 7-Oxabicycloheptane substituted aminoalkyl amide prostaglandin analogs
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0226340A1

  公开（公告）日：1987-06-24

  7-Oxabicycloheptane substituted diacid diamide prostaglandin analogs are provided having the structural formula wherein m is 0 to 4; A is -CH=CH- or-CH2-CH2-; n is 1 to 5; R is C02H, CO2alkyl, C02alkali metal, CO2polyhydroxyamine salt, -CH2OH, or wherein R4 and R5 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R4 and R5 being other than hydroxy and lower alkoxy; p is 1 to 4; R' is H or lower alkyl; q is 1 to 12; R2 and R3 are the same or different and are H, lower alkyl, lower alkenyl, lower alkynyl, aryl, arylalkyl, lower alkoxy, aralkyloxy, cycloalkyl or cycloalkylalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  7-氧杂双环庚烷取代的二元酸二酰胺前列腺素类似物的结构式为 其中 m 为 0 至 4；A 为 -CH=CH- 或-CH2-CH2-；n 为 1 至 5；R 为 C02H、CO2 烷基、C02 碱金属、CO2 聚羟胺盐、-CH2OH、 或 其中 R4 和 R5 相同或不同，并且是 H、低级烷基、羟基、低级烷氧基或芳基，R4 和 R5 中至少有一个不是羟基和低级烷氧基；p 是 1 至 4；R' 是 H 或低级烷基；q 是 1 至 12；R2 和 R3 相同或不同，并且是 H、低级烷基、低级烯基、低级炔基、芳基、芳烷基、低级烷氧基、芳氧基、环烷基或环烷基烷基。 这些化合物是心血管药物，可用于治疗血栓性疾病等。