(-)-2(R),3(S)-methano-3-(3,5-di-tert-butylphenyl)-hexanal | 263397-95-1

• 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(R),3(S)-methano-3-(3,5-di-tert-butylphenyl)-hexanal
• 英文别名: (1R,2S)-2-(3,5-ditert-butylphenyl)-2-propylcyclopropane-1-carbaldehyde
• CAS: 263397-95-1
• 化学式: C₂₁H₃₂O
• 分子量: 300.484
• InChiKey: QERIICPCWOIZTL-GHTZIAJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors
  申请人：Allergan, Inc.

  公开号：EP1388534A2

  公开（公告）日：2004-02-11

  Compounds of Formula (1), Formula (2) or Formula (3) where X is O, S, or (CR1R1)n where n is 0, 1, or 2; Y is a bivalent radical having Formula (4) or Formula (5) where o is an integer from 1 to 4 or Y is a bivalent aryl or 5 or 6 membered heteroaryl radical having to 3 heteroatoms selected from N, S and O, said aryl or heteroaryl groups being unsubstituted, or substituted with 1 to 3 C1-6 alkyl or with 1 to 3 C1-6 fluoroalkyl groups; and the remaining symbols have the meaning described in the specification, have RXR selective retinoid agonist-like activity.

  式(1)、式(2)或式(3)化合物 其中 X 是 O、S 或(CR1R1)n，其中 n 是 0、1 或 2；Y 是具有式(4)或式(5)的二价基，其中 o 是 1 至 4 的整数，或者 Y 是二价芳基或 5 或 6 个成员的杂芳基，具有 3 个选自 N、S 和 O 的杂原子，所述芳基或杂芳基未被取代，或被 1 至 3 个 C1-6 烷基或 1 至 3 个 C1-6 氟烷基取代；其余符号具有说明书中所述的含义，具有 RXR 选择性视黄醇激动剂样活性。
• 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS
  申请人：Allergan Sales, Inc.

  公开号：EP1117628A1

  公开（公告）日：2001-07-25
• US6147224A
  申请人：——

  公开号：US6147224A

  公开（公告）日：2000-11-14
• US6403638B1
  申请人：——

  公开号：US6403638B1

  公开（公告）日：2002-06-11
• [EN] 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS<br/>[FR] DERIVES D'ACIDE 2, 4-PENTADIENOIQUE PRESENTANT UNE ACTIVITE SELECTIVE POUR LES RECEPTEURS RETINOIDES X (RXR)
  申请人：ALLERGAN SALES INC

  公开号：WO2000020370A1

  公开（公告）日：2000-04-13

  Compounds of Formula (1), Formula (2) or Formula (3) where X is O, S, or (CR1R1)n where n is 0, 1, or 2; Y is a bivalent radical having Formula (4) or Formula (5) where o is an integer from 1 to 4 or Y is a bivalent aryl or 5 or 6 membered heteroaryl radical having 1 to 3 heteroatoms selected from N, S and O, said aryl or heteroaryl groups being unsubstituted, or substituted with 1 to 3 C1-6 alkyl or with 1 to 3 C1-6 fluoroalkyl groups; and the remaining symbols have the meaning described in the specification, have RXR selective retinoid agonist-like activity.