2-fluoro-4-iodo phenyl acetic acid ethyl ester | 345963-97-5

• 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-fluoro-4-iodo phenyl acetic acid ethyl ester
• 英文别名: ethyl (2-fluoro-4-iodophenyl)-acetate；ethyl 2-fluoro-4-iodophenyl acetate；ethyl 2-fluoro-4-iodophenylacetate；Ethyl 2-fluoro-4-iodobenzeneacetate；ethyl 2-(2-fluoro-4-iodophenyl)acetate
• CAS: 345963-97-5
• 化学式: C₁₀H₁₀FIO₂
• 分子量: 308.091
• InChiKey: ZINVXYJYHMFSCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  284.3±25.0 °C(Predicted)
• 密度：
  1.665±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-fluoro-4-iodo phenyl acetic acid ethyl ester 、 6-ethynyl-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-one 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到[2-Fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-phenyl]acetic acid ethyl ester
  参考文献：
  名称：

  Compounds having activity as inhibitors of cytochrome P450RAI

  摘要：

  具有通式1的化合物，其中符号的含义在说明书中定义，是细胞色素P450RAI（视黄酸诱导型）酶的抑制剂，并用于治疗对视黄酸治疗有反应的疾病。

  公开号：

  US06359135B1
• 作为产物：
  描述：

  (2-fluoro-4-iodophenyl)-acetic acid 、 乙醇 在 硫酸 作用下， 以 苯 为溶剂， 以73%的产率得到2-fluoro-4-iodo phenyl acetic acid ethyl ester
  参考文献：
  名称：

  Compounds having activity as inhibitors of cytochrome P450RAI

  摘要：

  具有Formula 8的化合物，在其中符号的含义已在说明书中定义，是细胞色素P450RAI（维甲酸诱导）酶的抑制剂，用于治疗对维甲酸类药物治疗有响应的疾病。

  公开号：

  US06369225B1

文献信息

• [EN] METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B<br/>[FR] PROCEDES PERMETTANT DE TRAITER DES TROUBLES SENSIBLES AU RETINOIDE AU MOYEN D'INHIBITEURS SELECTIFS DE CYP26A ET DE CYP26B
  申请人：ALLERGAN INC

  公开号：WO2005058301A1

  公开（公告）日：2005-06-30

  The invention provides methods for treating an individual having a retinoid responsive disorder. In one embodiment, a method involves administering to the individual an effective amount of a selective CYP26B inhibitor, the selective CYP26B inhibitor having at least 10-fold selectivity for CYP26B relative to CYP26A. In another embodiment, a method involves administering to the individual an effective amount of a selective CYP26A inhibitor, the selective CYP26A inhibitor having a chemical formula set forth in the specification. The invention further provides screening methods for identifying a selective CYP26A inhibitor or selective CYP26B inhibitor.

  本发明提供了一种治疗患有视黄酸反应性障碍的个体的方法。在一个实施例中，一种方法包括向个体施用有效量的选择性CYP26B抑制剂，所述选择性CYP26B抑制剂相对于CYP26A至少具有10倍的选择性。在另一个实施例中，一种方法包括向个体施用有效量的选择性CYP26A抑制剂，所述选择性CYP26A抑制剂的化学公式如说明书所述。本发明还提供了用于识别选择性CYP26A抑制剂或选择性CYP26B抑制剂的筛选方法。
• Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI
  申请人：Allergan Sales, Inc.

  公开号：US06313107B1

  公开（公告）日：2001-11-06

  Novel compounds having the Formulas 1 through 8, wherein the symbols have the meaning defined in the specification, and certain previously known compounds have been discovered to act as inhibitors of the cytochrome P450RAI (retinoic acid inducible) enzyme, and are used for treating diseases responsive to treatment by retinoids. The compound can also be used in co-treatment with retinoids.

  具有1至8号式的新化合物，其中符号的含义在说明书中有定义，并且已发现某些先前已知的化合物可作为细胞色素P450RAI（诱导性维生素A酸）酶的抑制剂，并用于治疗对维生素A酸治疗产生响应的疾病。该化合物还可与维生素A酸一起进行联合治疗。
• Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same
  申请人：Vasudevan Jayasree

  公开号：US20050176689A1

  公开（公告）日：2005-08-11

  Compounds of formulas 1 through 17 provided in the specification specifically or selectively inhibit either the cytochrome P450RAI-1 enzyme or the cytochrome P450RAI-2 enzyme.

  本说明书提供的1至17式化合物可以特异性地抑制细胞色素P450RAI-1酶或细胞色素P450RAI-2酶。
• Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B
  申请人：Vasudevan Jayasree

  公开号：US20050187298A1

  公开（公告）日：2005-08-25

  The invention provides methods for treating an individual having a retinoid responsive disorder. In one embodiment, a method involves administering to the individual an effective amount of a selective CYP26B inhibitor, the selective CYP26B inhibitor having at least 10-fold selectivity for CYP26B relative to CYP26A. In another embodiment, a method involves administering to the individual an effective amount of a selective CYP26A inhibitor, the selective CYP26A inhibitor having a chemical formula set forth in the specification. The invention further provides screening methods for identifying a selective CYP26A inhibitor or selective CYP26B inhibitor.

  本发明提供了治疗具有视黄醇响应性疾病的个体的方法。在一种实施方式中，该方法涉及向个体施用有效量的选择性CYP26B抑制剂，该选择性CYP26B抑制剂相对于CYP26A具有至少10倍的选择性。在另一种实施方式中，该方法涉及向个体施用有效量的选择性CYP26A抑制剂，该选择性CYP26A抑制剂具有在规范中列出的化学式。本发明还提供了筛选方法，用于识别选择性CYP26A抑制剂或选择性CYP26B抑制剂。
• 1-imidazolyl substituted tetrahydronaphthalene derivatives as inhibitors of eytochrome P450RAI
  申请人：Allergan, Inc.

  公开号：US06603019B2

  公开（公告）日：2003-08-05

  Compounds having Formula 4 wherein the symbols have the meaning defined in the specification are inhibitors of the cytochrome P450RAI (retinoic acid inducible) enzyme, and are used for treating diseases responsive to treatment by retinoids

  具有公式4的化合物，其中符号的含义在规范中定义，是细胞色素P450RAI（诱导维甲酸）酶的抑制剂，并用于治疗对维甲酸类药物治疗有反应的疾病。