tert-butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate | 1244059-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: tert-butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate
• 英文别名: tert-butyl N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]carbamate
• CAS: 1244059-50-4
• 化学式: C₁₈H₂₅BN₂O₄S
• 分子量: 376.284
• InChiKey: KAXQCYFUDAOKJK-UHFFFAOYSA-N

物化性质

• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 C₁₁H₁₀N₄S
  参考文献：
  名称：

  Discovery of potent, selective small molecule inhibitors of α-subtype of type III phosphatidylinositol-4-kinase (PI4KIIIα)

  摘要：

  The discovery and optimisation of novel, potent and selective small molecule inhibitors of the alpha-isoform of type III phosphatidylinositol-4-kinase (PI4K alpha) are described. Lead compounds show cellular activity consistent with their PI4K alpha potency inhibiting the accumulation of IP1 after PDGF stimulation and reducing cellular PIP, PIP2 and PIP3 levels. Hence, these compounds are useful in vitro tools to delineate the complex biological pathways involved in signalling through PI4Ka. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.093
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 4-二甲氨基吡啶 、 potassium acetate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 77.0h， 生成 tert-butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate
  参考文献：
  名称：

  Discovery of potent, selective small molecule inhibitors of α-subtype of type III phosphatidylinositol-4-kinase (PI4KIIIα)

  摘要：

  The discovery and optimisation of novel, potent and selective small molecule inhibitors of the alpha-isoform of type III phosphatidylinositol-4-kinase (PI4K alpha) are described. Lead compounds show cellular activity consistent with their PI4K alpha potency inhibiting the accumulation of IP1 after PDGF stimulation and reducing cellular PIP, PIP2 and PIP3 levels. Hence, these compounds are useful in vitro tools to delineate the complex biological pathways involved in signalling through PI4Ka. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.093

文献信息

• [EN] FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE<br/>[FR] COMPOSÉS BICYCLIQUES FUSIONNÉS UTILISÉS COMME INHIBITEURS DE LA PI3 KINASE
  申请人：MERCK SERONO SA

  公开号：WO2010100144A1

  公开（公告）日：2010-09-10

  The invention relates to compounds of formula (I) for the regulation of phosphoinositides 3-kinases activity and related diseases.

  该发明涉及用于调节磷脂酰肌醇3-激酶活性及相关疾病的化合物（I）的公式。
• TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20180065983A1

  公开（公告）日：2018-03-08

  Described herein are tricyclic compounds with phosphoinositide-3 kinase (PI3K) modulation activity or function having the Formula I structure: or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, and with the substituents and structural features described herein. Also described are pharmaceutical compositions and medicaments that include the Formula I compounds, as well as methods of using such PI3K modulators, alone and in combination with other therapeutic agents, for treating diseases or conditions that are mediated or dependent upon PI3K dysregulation.

  本文描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性或功能的三环化合物，具有以下结构的Formula I结构：或其立体异构体、互变异构体或药学上可接受的盐，以及所述的取代基和结构特征。还描述了包括Formula I化合物的药物组合物和药物，以及使用这种PI3K调节剂的方法，单独或与其他治疗剂联合治疗依赖于PI3K失调的疾病或病况。
• Potent, selective small molecule inhibitors of type III phosphatidylinositol-4-kinase α- but not β-inhibit the phosphatidylinositol signaling cascade and cancer cell proliferation
  作者：Michael J. Waring、David M. Andrews、Paul F. Faulder、Vikki Flemington、Jennifer C. McKelvie、Sarita Maman、Marian Preston、Piotr Raubo、Graeme R. Robb、Karen Roberts、Rachel Rowlinson、James M. Smith、Martin E. Swarbrick、Iris Treinies、Jon J. G. Winter、Robert J. Wood

  DOI：10.1039/c3cc48391f

  日期：——

  Two series of inhibitors of type III phosphatidylinositol-4-kinase were identified by high throughput screening and optimised to derive probe compounds that independently and selectively inhibit the alpha- and the beta-isoforms with no significant activity towards related kinases in the pathway. In a cellular environment, inhibition of the alpha- but not the beta-subtype led to a reduction in phos

  通过高通量筛选鉴定了两个系列的III型磷脂酰肌醇4-激酶抑制剂，并对其进行了优化，以衍生出能够独立，选择性地抑制α-和β-同工型而对路径中相关激酶没有明显活性的探针化合物。在细胞环境中，抑制α-亚型而不抑制β-亚型会导致4-磷酸磷脂酰肌醇和-4,5-磷酸二磷酸肌醇浓度的降低，从而导致肌醇-1-磷酸形成的抑制和增殖的抑制。一组癌细胞系。
• Discovery of potent, selective small molecule inhibitors of α-subtype of type III phosphatidylinositol-4-kinase (PI4KIIIα)
  作者：Piotr Raubo、David M. Andrews、Jennifer C. McKelvie、Graeme R. Robb、James M. Smith、Martin E. Swarbrick、Michael J. Waring

  DOI：10.1016/j.bmcl.2015.05.093

  日期：2015.8

  The discovery and optimisation of novel, potent and selective small molecule inhibitors of the alpha-isoform of type III phosphatidylinositol-4-kinase (PI4K alpha) are described. Lead compounds show cellular activity consistent with their PI4K alpha potency inhibiting the accumulation of IP1 after PDGF stimulation and reducing cellular PIP, PIP2 and PIP3 levels. Hence, these compounds are useful in vitro tools to delineate the complex biological pathways involved in signalling through PI4Ka. (C) 2015 Elsevier Ltd. All rights reserved.