{4-[8-bromomethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester | 607714-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: {4-[8-bromomethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester
• 英文别名: methyl 2-[4-[2-[8-(bromomethyl)-2,2,4,4-tetramethyl-3H-chromen-6-yl]ethynyl]phenyl]acetate
• CAS: 607714-20-5
• 化学式: C₂₅H₂₇BrO₃
• 分子量: 455.392
• InChiKey: CVMOXVIBITUQLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  {4-[8-bromomethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester 、 三甲基乙炔基硅 在 dichlorobis(triphenylphosphine)palladium[II] 作用下， 以 正己烷 、 三乙胺 、 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到{4-[2,2,4,4-tetramethyl-8-(3-trimethylsilanyl-prop-2-ynyl)-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester
  参考文献：
  名称：

  Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A

  摘要：

  维生素A，或具有维生素A活性的维生素A衍生物与CP450RAI1和/或CP450RAI2酶的抑制剂共同给药，用于治疗哺乳动物，包括人类的疾病和状况，这些疾病或状况可以通过施用视黄酸化合物或通过哺乳动物机体自然存在的视黄酸来预防、治疗、改善或延迟其发作。

  公开号：

  US20040077721A1
• 作为产物：
  描述：

  N-溴代丁二酰亚胺(NBS) 、 {4-[8-hydroxymethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester 、 碳酸氢钠 在 三苯基膦 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 以80%的产率得到{4-[8-bromomethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester
  参考文献：
  名称：

  Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A

  摘要：

  维生素A，或具有维生素A活性的维生素A衍生物与CP450RAI1和/或CP450RAI2酶的抑制剂共同给药，用于治疗哺乳动物，包括人类的疾病和状况，这些疾病或状况可以通过施用视黄酸化合物或通过哺乳动物机体自然存在的视黄酸来预防、治疗、改善或延迟其发作。

  公开号：

  US20040077721A1

文献信息

• 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity
  申请人：——

  公开号：US20030207937A1

  公开（公告）日：2003-11-06

  Compounds of the formula 1 where the variables are defined in the specification have cytochrome P450RAI-1 and P450RAI-2 inhibitory activity, and are suitable for treatment of mammals with conditions which are treatable with retinoids, or which are controlled by or responsive to the organism's native retinoic acid. Formulations containing the compounds of the invention can also be co-administered with retinoids and/or Vitamin A to enhance or prolong the effects of medications containing retinoids, Vitamin A, or of the organism's native retinoic acid.

  具有公式1的化合物，其中变量在说明书中定义，具有细胞色素P450RAI-1和P450RAI-2的抑制活性，并且适用于治疗可通过视黄酸治疗的哺乳动物疾病，或由生物体的天然视黄酸控制或响应的疾病。包含本发明的化合物的制剂还可以与视黄酸和/或维生素A共同给药，以增强或延长含有视黄酸、维生素A或生物体天然视黄酸的药物的效果。
• 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity
  申请人：Allergan, Inc.

  公开号：US07351737B2

  公开（公告）日：2008-04-01

  Compounds of the formula where the variables are defined in the specification have cytochrome P450RAI-1 and P450RAI-2 inhibitory activity, and are suitable for treatment of mammals with conditions which are treatable with retinoids, or which are controlled by or responsive to the organism's native retinoic acid. Formulations containing the compounds of the invention can also be co-administered with retinoids and/or Vitamin A to enhance or prolong the effects of medications containing retinoids, Vitamin A, or of the organism's native retinoic acid.

  式中变量的化合物具有细胞色素P450RAI-1和P450RAI-2的抑制活性，并适用于治疗哺乳动物的疾病，这些疾病可用维甲酸治疗，或者受到机体本身的视黄酸的控制或反应。含有本发明化合物的制剂也可以与维甲酸和/或维生素A共同使用，以增强或延长含有维甲酸、维生素A或机体本身的视黄酸的药物的效果。
• SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY
  申请人：Allergan, Inc.

  公开号：EP1485368A1

  公开（公告）日：2004-12-15
• US7351737B2
  申请人：——

  公开号：US7351737B2

  公开（公告）日：2008-04-01
• [EN] SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY<br/>[FR] DERIVES CHROMANS SUBSTITUES PRESENTANT UNE ACTIVITE INHIBITRICE DU CYTOCHROME P450RAI
  申请人：ALLERGAN INC

  公开号：WO2003080594A1

  公开（公告）日：2003-10-02

  Compounds of the formula (I), where the variables are defined in the specification have cytochrome P450RAI-I and P450RAI-2 inhibitory activity, and are suitable for treatment of mammals with conditions which are treatable with retinoids, or which are controlled by or responsive to the organism's native retinoic acid. Formulations containing the compounds of the invention can also be co­administered with retinoids and/or Vitamin A to enhance or prolong the effects of medications containing retinoids, Vitamin A, or of the organism's native retinoic acid.