5-(Acetyloxy)-2-[7-(acetyloxy)-6-chloro-2,4,4-trimethyl-3,4-dihydro-2H-chromen-2-YL]-4-chlorophenyl acetate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 5-(Acetyloxy)-2-[7-(acetyloxy)-6-chloro-2,4,4-trimethyl-3,4-dihydro-2H-chromen-2-YL]-4-chlorophenyl acetate
• 英文别名: [5-acetyloxy-2-(7-acetyloxy-6-chloro-2,4,4-trimethyl-3H-chromen-2-yl)-4-chlorophenyl] acetate
• 化学式: C₂₄H₂₄Cl₂O₇
• 分子量: 495.3
• InChiKey: HRAAHYGSVFJUIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• USE OF SUBSTITUTED CHROMAN COMPOUNDS
  申请人：Instytut Biologii Medycznej Polskiej Akademii Nauk

  公开号：EP3148527A1

  公开（公告）日：2017-04-05
• [EN] USE OF SUBSTITUTED CHROMAN COMPOUNDS<br/>[FR] UTILISATION DE COMPOSÉS CHROMANE SUBSTITUÉS
  申请人：INST BIOLOG MEDYCZNEJ

  公开号：WO2015185515A1

  公开（公告）日：2015-12-10

  The invention relates to a new medicinal use of a substituted chroman compound of formula I wherein each of R1a and R1b is a substituent selected independently from the group consisting of hydrogen and phenyl optionally substituted with 1-3 substituents selected from the group consisting of halogen, hydroxyl, C1-C4 alkyl, C1-C4 alkoxy, C1- C4 alkanoyloxy, R2a and R2b are hydrogen atoms R3a and R3b is C1-C4 alkyl or R3a and R3b together represent an oxo group or together are an C5-C8 alkylene substituent so that together with the carbon atom to which R3a and R3b are attached form a ring, wherein in the main chain to C5-8 alkylene two non-adjacent carbon atoms are replaced by nitrogen atoms, and said C5-C8 alkylene is optionally substituted by a thioxo group, n is the number of the substituents Rz and is an integer from 1 to 3 inclusive, z is the sequence number of the substituent Rz and is an integer from 4 to n + 3, inclusive, (Rz) is a substituent on the benzene ring attached to a non-nodal carbon atom independently selected from the group consisting of hydroxyl, halogen, C2-C6 alkenyl, C1-C4 alkoxy, C1-4 alkanoyloxy, heterocyclic C4-C7 alkyloxy having an oxygen atom in the ring and optionally substituted with 1- 3 substituents selected from the group consisting of C1-4 alkanoyloxy, phenyl-C3-6 alkenyl optionally substituted in the aryl ring by C1-4 alkanoyloxy and substituted in the chain by an oxo group located on a carbon atom adjacent to the carbon atom involved in the double bond C = C, as tautomer, enantiomer, diastereomer, mixture of enantiomers and/or mixture of diastereomers. A compound of formula I is used as an immunosuppressive drug.