2-Benzyloxycarbonyl-1-(benzyloxycarbonylmethyl)ethyl 6-O-[4-Benzyloxycarbonyl-2S-(t-butoxycarbonylamino)butanoyl]-2-deoxy-3-O-tetradecanoyl-2-tetradecanoylamino-α-D-glucopyranoside | 154978-83-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Benzyloxycarbonyl-1-(benzyloxycarbonylmethyl)ethyl 6-O-[4-Benzyloxycarbonyl-2S-(t-butoxycarbonylamino)butanoyl]-2-deoxy-3-O-tetradecanoyl-2-tetradecanoylamino-α-D-glucopyranoside
• 英文别名: 5-O-benzyl 1-O-[[(2R,3S,4R,5R,6S)-6-[1,5-dioxo-1,5-bis(phenylmethoxy)pentan-3-yl]oxy-3-hydroxy-5-(tetradecanoylamino)-4-tetradecanoyloxyoxan-2-yl]methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
• CAS: 154978-83-3
• 化学式: C₇₀H₁₀₄N₂O₁₆
• 分子量: 1229.6
• InChiKey: OGDLJVMSDPIXJK-IYRMYDQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.2
• 重原子数：
  88
• 可旋转键数：
  52
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  238
• 氢给体数：
  3
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2-(Diphenylphosphonoxy)ethyl 6-O-[4-Benzyloxycarbonyl-2R-(t-butoxycarbonylamino)butanoyl]-2-deoxy-3-O-tetradecanoyl-2 -tetradecanoylamino-α-D-glucopyranoside 、 N-叔丁氧羰基-L-谷氨酸 5-苄酯 、 1,3-di(benzyloxycarbonyl)isopropyl 2-deoxy-3-O-tetradecanoyl-2-tetradecanoylamino-α-D-glucopyranoside 生成 2-Benzyloxycarbonyl-1-(benzyloxycarbonylmethyl)ethyl 6-O-[4-Benzyloxycarbonyl-2S-(t-butoxycarbonylamino)butanoyl]-2-deoxy-3-O-tetradecanoyl-2-tetradecanoylamino-α-D-glucopyranoside
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Amino sugar derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0563908A1

  公开（公告）日：1993-10-06

  A compound represented by formula (I): wherein R¹ represents -CO-Z¹-N(Z¹¹)-CO-Z²-H or -CO-Z³-H, wherein Z¹, Z², and Z³ each represent an alkylene group having from 1 to 20 carbon atoms, a phenylene group, or a combination thereof, and Z¹¹ represents a hydrogen atom, an alkyl group having from 1 to 20 carbon atoms which may be substituted with a phenyl group, a phenyl group which may be substituted with an alkyl group having from 1 to 20 carbon atoms, or an alkylene group having from 1 to 20 carbon atoms which may contain therein a phenylene group; R² represents -CO-Z⁴-N(Z¹²)-CO-Z⁵-H, -CO-Z⁶-H or a hydrogen atom, wherein Z⁴, Z⁵, and Z⁶ each have the same meaning as Z¹, and Z¹² has the same meaning as Z¹¹; Q¹ and Q² each represent a carboxyl group or a phosphonoxy group; Q³ represents a hydrogen atom, a carboxyl group or a phosphonoxy group; m represents 0 or an integer of from 1 to 20; n represents 0 or an integer of from 1 to 20; Y¹ represents an alkylene group having from 1 to 10 carbon atoms which may contain one or more substituents selected from -OCOR¹¹ and -NHCOR¹², wherein R¹¹ represents -Z¹³ or -Z⁷-N(Z¹⁴)-CO-Z⁸-H (wherein Z⁷ and Z⁸ each have the same meaning as Z¹, and Z¹³ and Z¹⁴ each have the same meaning as Z¹¹) and R¹² represents -Z¹⁵ or -Z⁹-N(Z¹⁶)-CO-Z¹⁰-H (wherein Z⁹ and Z¹⁰ each have the same meaning as Z¹, and Z¹⁵ and Z¹⁶ each have the same meaning as Z¹¹), and a salt thereof. The compound inhibits TNF derivation by endotoxin and is therefore useful for the treatment of multiorganic insufficiencies.

  式 (I) 所代表的化合物： 其中 R¹ 代表-CO-Z¹-N(Z¹¹)-CO-Z²-H 或 -CO-Z³-H，其中 Z¹、Z² 和 Z³ 分别代表具有 1 至 20 个碳原子的亚烷基、亚苯基或它们的组合，而 Z¹¹ 代表氢原子、可被苯基取代的具有 1 至 20 个碳原子的烷基，可被具有 1 至 20 个碳原子的烷基取代的苯基，或具有 1 至 20 个碳原子的亚烷基，其中可含有亚苯基；R²代表-CO-Z⁴-N(Z¹²)-CO-Z⁵-H、-CO-Z⁶-H或氢原子，其中Z⁴、Z⁵和Z⁶各自与Z¹含义相同，Z¹²与Z¹含义相同；Q¹ 和 Q² 各自代表羧基或膦酰氧基；Q³ 代表氢原子、羧基或膦酰氧基；m 代表 0 或 1 至 20 的整数；n 代表 0 或 1 至 20 的整数；Y¹ 代表具有 1 至 10 个碳原子的亚烷基，该亚烷基可包含一个或多个选自 -OCOR¹¹ 和 -NHCOR¹² 的取代基，其中 R¹¹ 代表 -Z¹³ 或 -Z⁷-N(Z¹⁴)-CO-Z⁸-H (其中 Z⁷ 和 Z⁸ 各自与 Z¹、Z¹³和Z¹⁴各自与Z¹¹具有相同的含义）和R¹²代表-Z¹⁵或-Z⁹-N(Z¹⁶)-CO-Z¹⁰-H（其中Z⁹和Z¹⁰各自与Z¹¹具有相同的含义，Z¹⁵和Z¹⁶各自与Z¹¹具有相同的含义），及其盐。该化合物可抑制由内毒素衍生的 TNF，因此可用于治疗多器官功能不全。
• US5432267A
  申请人：——

  公开号：US5432267A

  公开（公告）日：1995-07-11