5(R)-ethyl-1,4-thiomorpholine-3(S)-carboxylic acid methyl ester | 873066-13-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5(R)-ethyl-1,4-thiomorpholine-3(S)-carboxylic acid methyl ester
• 英文别名: methyl (3S,5R)-5-ethylthiomorpholine-3-carboxylate
• CAS: 873066-13-8
• 化学式: C₈H₁₅NO₂S
• 分子量: 189.279
• InChiKey: QFKBONLMLJVQKW-RNFRBKRXSA-N

物化性质

• 沸点：
  270.3±35.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5(R)-ethyl-1,4-thiomorpholine-3(S)-carboxylic acid methyl ester 、 4-氯苯磺酰氯 在 吡啶 作用下， 以35%的产率得到methyl (3S,5R)-4-(4-chlorophenyl)sulfonyl-5-ethylthiomorpholine-3-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS
  [FR] AMINES HETEROCYCLIQUES A SUBSTITUTION N-ARYLSULFONYLE INHIBANT LA GAMMA SECRETASE

  摘要：

  公开号：

  WO2006004880A3

文献信息

• Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors
  申请人：Josien Hubert B.

  公开号：US20100087425A1

  公开（公告）日：2010-04-08

  This invention discloses novel gamma secretase inhibitors of the formula: wherein: L is —O—, —N(R 6 )—, —S—, —S(O)—, or —S(O 2 )—; R 1 is selected from the group consisting of aryl and heteroaryl; R 2 is selected from the group consisting of alkyl, —C(O)—Y, —X—C(O)—Y, -alkylene-X—C(O)—Y, -alkylene-C(O)—Y, -alkylene-cycloalkylene-X—C(O)—Y, -alkylene-cycloalkylene-C(O)—Y, -cycloalkylene-alkylene-X—C(O)—Y, -cycloalkylene-alkylene-C(O)—Y, -cycloalkylene-X—C(O)—Y, -cycloalkylene-C(O)—Y, -alkylene-cycloalkylene-alkylene-X—C(O)—Y, -alkylene-cycloalkylene-alkylene-C(O)—Y, aryl, and heteroaryl; R 3 is selected from the group consisting of aryl, heteroaryl, alkyl, cycloalkyl, arylalkyl, arylcycloalkyl, heteroarylalkyl, heteroarylcycloalkyl, arylheterocycloalkyl, and alkoxyalkyl; each R 4 and R 5 is independently selected from the group consisting of H and alkyl; and Y is selected from the group consisting of —NR 8 R 9 , —N(R 6 )—(CH 2 ) b —NR 8 R 9 , aryl, heteroaryl, alkyl, cycloalkyl, arylalkyl, arylcycloalkyl, heteroarylalkyl, heteroarylcycloalkyl, and aryl heterocycloalkyl; or Y is selected from the group consisting of: One or more compounds of formula I, or formulations comprising such compounds, may be useful, e.g. in treating Alzheimer's Disease.
• US7763613B2
  申请人：——

  公开号：US7763613B2

  公开（公告）日：2010-07-27
• US7998958B2
  申请人：——

  公开号：US7998958B2

  公开（公告）日：2011-08-16
• [EN] SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS<br/>[FR] AMINES HETEROCYCLIQUES A SUBSTITUTION N-ARYLSULFONYLE INHIBANT LA GAMMA SECRETASE
  申请人：SCHERING CORP

  公开号：WO2006004880A3

  公开（公告）日：2007-03-08