2-cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydro-isoquinoline | 345964-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 2-cyclopropyl-4,4-dimethyl-6-trfluoromethylsulfonyloxy-1,2,3,4-tetrahydroisoquinoline；2-Cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydroisoquinoline；(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl) trifluoromethanesulfonate
• CAS: 345964-16-1
• 化学式: C₁₅H₁₈F₃NO₃S
• 分子量: 349.374
• InChiKey: DQTRDMFDRUMQHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydro-isoquinoline 在 1,3-双(二苯基膦)丙烷 、 palladium diacetate 作用下， 以 乙醇 、 二甲基亚砜 、 1,2-二氯乙烷 、 三乙胺 为溶剂， 以79%的产率得到ethyl-2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylate
  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
• 作为产物：
  描述：

  2-cyclopropyl-6-hydroxy-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline 、 2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到2-cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydro-isoquinoline
  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

• Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI
  申请人：——

  公开号：US20030078270A1

  公开（公告）日：2003-04-24

  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. 1

  具有1到8式的新化合物已被发现可以作为细胞色素P450RAI（诱导维甲酸）酶的抑制剂，并用于治疗对维甲酸类治疗有反应的疾病。该化合物还可与维甲酸类药物共同治疗。其中符号的含义在说明中定义。
• 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。
• Methods for identifying inhibitors of cytochrome P450RAI
  申请人：Vasudevan Jayasree

  公开号：US06855512B2

  公开（公告）日：2005-02-15

  A method of identifying a compound which is an inhibitor of the enzyme cytochrome P450RAI is performed by selecting a compound that has retinoid activity in an art recognized assay and includes a benzoic acid, benzoic acid ester, naphthoic acid ester or heteroaryl carboxylic acid or ester moiety, with a partial structure of —A(R 2 )—(CH 2 ) n—COOR 8 where n is 0 and the remaining variables are as described in the specification and claims. Thereafter, a compound having the cytochrome P450RAI inhibitory activity is identified and selected where the compound has the —A(R 2 )—(CH 2 ) 2 —COOR 8 partial structure wherein the variable n is 1 or 2.

  一种识别抑制酶细胞色素P450RAI的化合物的方法，包括选择在公认的试验中具有视黄醇活性的化合物，并包括苯甲酸、苯甲酸酯、萘甲酸酯或杂环羧酸或酯基团，具有部分结构- A（R2）-（CH2）n-COOR8，其中n为0，其余变量如说明书和权利要求所述。然后，识别并选择具有细胞色素P450RAI抑制活性的化合物，其中化合物具有- A（R2）-（ ）2-COOR8部分结构，其中变量n为1或2。
• METHODS OF PROVIDING AND USING COMPOUNDS ( RETINOIDS ) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI
  申请人：Allergan, Inc.

  公开号：EP1322631A2

  公开（公告）日：2003-07-02
• COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI
  申请人：Allergan, Inc.

  公开号：EP1366036A2

  公开（公告）日：2003-12-03