tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate | 1385069-08-8

• 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: tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate
• CAS: 1385069-08-8
• 化学式: C₁₅H₂₃NO₂
• 分子量: 249.353
• InChiKey: NMHZXWXBNMWKHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-iso-propylbenzylamine
  参考文献：
  名称：

  Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: Design, synthesis and X-ray crystal structures of enzyme inhibitor complexes

  摘要：

  A series of P1-P3 linked macrocyclic BACE-1 inhibitors containing a hydroxyethylamine (HEA) isostere scaffold has been synthesized. All inhibitors comprise a toluene or N-phenylmethanesulfonamide P2 moiety. Excellent BACE-1 potencies, both in enzymatic and cell-based assays, were observed in this series of target compounds, with the best candidates displaying cell-based IC50 values in the low nanomolar range. As an attempt to improve potency, a phenyl substituent aiming at the S3 subpocket was introduced in the macrocyclic ring. X-ray analyzes were performed on selected compounds, and enzyme-inhibitor interactions are discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.039
• 作为产物：
  描述：

  3-异丙基苯酚 在 吡啶 、 sodium tetrahydroborate 、 四(三苯基膦)钯 、 nickel(II) chloride hexahydrate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate
  参考文献：
  名称：

  Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: Design, synthesis and X-ray crystal structures of enzyme inhibitor complexes

  摘要：

  A series of P1-P3 linked macrocyclic BACE-1 inhibitors containing a hydroxyethylamine (HEA) isostere scaffold has been synthesized. All inhibitors comprise a toluene or N-phenylmethanesulfonamide P2 moiety. Excellent BACE-1 potencies, both in enzymatic and cell-based assays, were observed in this series of target compounds, with the best candidates displaying cell-based IC50 values in the low nanomolar range. As an attempt to improve potency, a phenyl substituent aiming at the S3 subpocket was introduced in the macrocyclic ring. X-ray analyzes were performed on selected compounds, and enzyme-inhibitor interactions are discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.039

文献信息

• Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta
  申请人：Barbosa Antonio J.M.

  公开号：US20080318929A1

  公开（公告）日：2008-12-25

  Disclosed are novel compounds of formula (I) wherein R 1 , R 2 , R 3 , and R 4 and A are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及一种新型化合物，其化学式为(I)，其中R1、R2、R3、R4和A的定义如本文所述，这些化合物可用作PKC-theta的抑制剂，因此可用于治疗通过PKC-theta的活性介导或维持的多种疾病和障碍，包括免疫性疾病和2型糖尿病。本发明还涉及包含这些化合物的制药组合物、使用这些化合物治疗各种疾病和障碍的方法、制备这些化合物的过程以及在这些过程中有用的中间体。
• ANTI-VIRAL INHIBITORS AND METHODS OF USE
  申请人：Rai Roopa

  公开号：US20090317360A1

  公开（公告）日：2009-12-24

  Disclosed are compounds and compositions of Formula (I), pharmaceutically acceptable salts and solvates thereof, and their uses for treating viral infections mediated at least in part by a virus in the Flaviviridae family of viruses.

  本发明揭示了式（I）的化合物和组合物，其药学上可接受的盐和溶剂化物，并且它们的用途是用于治疗由Flaviviridae病毒家族中至少部分介导的病毒感染。
• 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS
  申请人：Tsou Hwei-Ru

  公开号：US20100068204A1

  公开（公告）日：2010-03-18

  Compounds of the formula I and pharmaceutically acceptable salts thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are defined as set forth herein are disclosed. Also disclosed are pharmaceutical compositions comprising the compounds of the invention and a pharmaceutically acceptable carrier, methods of making the compounds of the invention and methods of using the compounds for inhibiting mTOR and PI3 kinases and for treating cancers.

  本文披露了化学式I及其药学上可接受的盐的化合物，其中A、B、R1、R2、R3、R4、R5、R6和R7的定义如本文所述。本文还披露了包含本发明化合物和药学上可接受的载体的制药组合物，制备本发明化合物的方法以及使用本化合物抑制mTOR和PI3激酶并治疗癌症的方法。
• [EN] ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS<br/>[FR] DÉRIVÉS D'ARYLE POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR TRPM3
  申请人：UNIV LEUVEN KATH

  公开号：WO2022112345A1

  公开（公告）日：2022-06-02

  The invention relates to compounds that are useful for the prevention or treatment of TRPM3 mediated disorders, more in particular disorders selected from pain and inflammatory hypersensitivity. The invention also relates to a method for the prevention or treatment of said TRPM3 mediated disorders.

  本发明涉及用于预防或治疗TRPM3介导的疾病的化合物，更具体地说，是选择自疼痛和炎症过敏性疾病。本发明还涉及一种用于预防或治疗所述TRPM3介导的疾病的方法。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10206931B2

  公开（公告）日：2019-02-19

  The present invention relates to compounds of formula (I): and to salts thereof, wherein A has any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 A 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作 CBP 和/或 EP300 的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用此类化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。