2-Boc-氨基甲基苯硼酸 | 433969-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-Boc-氨基甲基苯硼酸
• 中文别名: 2-[(BOC-氨基)甲基]苯硼酸；2-BOC-氨甲基苯硼酸
• 英文名称: 2-((tert-butoxycarbonylamino)methyl)phenylboronic acid
• 英文别名: 2-((N-t-butoxycarbonyl)aminomethyl)phenylboronic acid；2-(tert-butoxycarbonylaminomethyl)phenylboronic acid；2-(N-Boc-aminomethyl)phenylboronic acid；(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid；[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
• CAS: 433969-27-8
• 化学式: C₁₂H₁₈BNO₄
• mdl: MFCD05663974
• 分子量: 251.09
• InChiKey: NVCGSIBAXVRMLU-UHFFFAOYSA-N

物化性质

• 熔点：
  190-192 °C
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  78.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-Boc-氨基甲基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 21.0h， 生成
  参考文献：
  名称：

  Identification, Synthesis, and Activity of Novel Blockers of the Voltage-Gated Potassium Channel Kv1.5

  摘要：

  The voltage-gated potassium channel Kv1.5 is regarded as a promising target for the development of new atrial selective drugs with fewer side effects. In the present study the discovery of ortho,ortho-disubstituted bisaryl compounds as blockers of the Kv1.5 channel is presented. Several compounds of this new class were synthesized and screened for their ability to block Kv1.5 channels expressed in Xenopus oocytes. The observed structure-activity relationship (SAR) is described by a pharmacophore model that consists of three hydrophobic centers in a triangular arrangement. The hydrophobic centers are matched by a phenyl or pyridyl ring of the bisaryl core and both ends of the side chains. The most potent compounds (e.g., 17c and 17o) inhibited the Kv1.5 channel with sub-micromolar half-blocking concentrations and displayed 3-fold selectivity over Kv1.3 and no significant effect on the HERG channel and sodium currents. In addition, compounds 17c and 17m have already shown antiarrhythmic effects in a pig model.

  DOI：

  10.1021/jm0210461
• 作为产物：
  描述：

  N-(叔丁氧羰基)-2-溴苄胺 在 甲基锂 、 叔丁基锂 、 硼酸三甲酯 、 盐酸 、 水 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 2.0h， 以92%的产率得到2-Boc-氨基甲基苯硼酸
  参考文献：
  名称：

  Efficient Preparation of 2-Aminomethylbiphenyls via Suzuki-Miyaura Reactions

  摘要：

  我们制备了四种 2-(氨基甲基)芳基硼酸，并研究了它们在与不同芳基卤化物的 Suzuki-Miyaura 偶联反应中的反应性。我们观察到，当与硼酸相邻的胺受到叔丁氧羰基 (t-Boc) 基团保护时，产率显着增加，反应时间缩短。然后，我们研究了 N-t-Boc 保护的底物在 N-B 键的潜在作用方面具有更高反应性的根源。

  DOI：

  10.1055/s-0030-1258554

文献信息

• [EN] RESVERATROL ANALOGS AND THERAPEUTIC USES THEREOF<br/>[FR] ANALOGUES DE RESVÉRATROL ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：CT FOR DRUG RES AND DEV

  公开号：WO2014183221A1

  公开（公告）日：2014-11-20

  Resveratrol analogs and their use to inhibit Kv1.5 channels are provided. The resveratrol analogs are useful in the treatment of atrial arrhythmias, including atrial fibrillation (AF). Exemplary resveratrol analogs are compounds of general Formula (I):

  白藜芦醇类似物及其用于抑制Kv1.5通道的方法已提供。这些白藜芦醇类似物在治疗心房心律失常，包括心房颤动（AF）方面很有用。示例白藜芦醇类似物是一般式（I）的化合物：
• [EN] 2-METHYL-QUINAZOLINES<br/>[FR] 2-MÉTHYL-QUINAZOLINES
  申请人：BAYER PHARMA AG

  公开号：WO2018172250A1

  公开（公告）日：2018-09-27

  The present invention describes 2-methyl-quinazoline compounds of general formula (I), methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions. The 2-methyl substituted quinazoline compounds of general formula(I) effectively and selectively inhibit the Ras-Sos interaction without significantly targeting the EGFR receptor. They are therefore useful for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, such as cancer as a sole agent or in combination with other active ingredients.

  本发明描述了一般式(I)的2-甲基喹唑啉化合物，制备该化合物的方法，用于制备该化合物的中间体化合物，包含该化合物的药物组合物和组合物，以及用于制造药物组合物的该化合物的用途。一般式(I)的2-甲基取代喹唑啉化合物有效且选择性地抑制Ras-Sos相互作用，而不显著靶向EGFR受体。因此，它们对于治疗或预防疾病特别是高增殖性疾病，如癌症作为单一药剂或与其他活性成分组合使用是有用的。
• [EN] PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE<br/>[FR] DÉRIVÉS DE PYRAZOLO-TRIAZINE ET/OU DE PYRAZOLO-PYRIMIDINE EN TANT QU'INHIBITEURS SÉLECTIFS DE KINASE DÉPENDANTE DE LA CYCLINE
  申请人：QURIENT CO LTD

  公开号：WO2019197549A1

  公开（公告）日：2019-10-17

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine and pyrazolo[l,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferative diseases, inflammatory diseases, immunological diseases, cardiovascular diseases and infectious diseases. Furthermore, the present invention is directed towards pharmaceutical compositions containing at least one of the pyrazolo[1,5-a][1,3,5]triazine and pyrazolo[1,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof.

  本发明涉及吡唑并[1,5-a][1,3,5]三嗪和吡唑[1,5-a]嘧啶衍生物和/或其药用可接受盐，以及这些衍生物作为药用活性剂的用途，特别是用于预防和/或治疗细胞增殖性疾病、炎症性疾病、免疫性疾病、心血管疾病和传染病。此外，本发明还涉及含有至少一种吡唑并[1,5-a][1,3,5]三嗪和吡唑[1,5-a]嘧啶衍生物和/或其药用可接受盐的药物组合物。
• Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors
  申请人：Thrash Thomas

  公开号：US20060004002A1

  公开（公告）日：2006-01-05

  Various thienopyrimidine-based analog compounds are able to selectively inhibit the Src family of tyrosine kinases. These compounds are useful in the treatment of various diseases including hyperproliferative diseases, hematologic diseases, osteoporosis, neurological diseases, autoimmune diseases, allergic/immunological diseases, or viral infections.

  各种噻吩并嘧啶类衍生物能够选择性地抑制Src家族的酪氨酸激酶。这些化合物在治疗包括过度增殖性疾病、血液病、骨质疏松症、神经性疾病、自身免疫病、过敏/免疫性疾病或病毒感染等多种疾病中是有用的。
• [EN] PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLOTRIAZINE ET/OU DE PYRAZOLOPYRIMIDINE PHARMACEUTIQUEMENT ACTIFS
  申请人：QURIENT CO LTD

  公开号：WO2019197546A1

  公开（公告）日：2019-10-17

  The present invention relates to pyrazolo [1,5 -a] [1,3,5 ]triazine and pyrazolo[1,5-a] pyrimidine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferative diseases, inflammatory diseases, immunological diseases, cardiovascular diseases and infectious diseases. Furthermore, the present invention is directed towards pharmaceutical compositions containing at least one of the pyrazo lo [1,5-a][1,3,5 ]triazine and pyrazolo [1,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof.

  本发明涉及吡唑并[1,5-a] [1,3,5]三嗪和吡唑并[1,5-a]嘧啶衍生物及/或其药用可接受的盐，这些衍生物作为药用活性剂的使用，特别用于预防和/或治疗细胞增殖性疾病、炎症性疾病、免疫性疾病、心血管疾病和传染病。此外，本发明还涉及含有至少一种吡唑并[1,5-a][1,3,5]三嗪和吡唑并[1,5-a]嘧啶衍生物及/或其药用可接受的盐的药物组合物。