5-bromo-2-isopropylbenzo[d]thiazole

• 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: 5-bromo-2-isopropylbenzo[d]thiazole
• 英文别名: 5-Bromo-2-propan-2-yl-1,3-benzothiazole；5-bromo-2-propan-2-yl-1,3-benzothiazole
• 化学式: C₁₀H₁₀BrNS
• 分子量: 256.166
• InChiKey: RLZMGCCTVGWEMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-2-isopropylbenzo[d]thiazole 在 甲醇 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium tetrahydroborate 作用下， 以 甲苯 为溶剂， 反应 0.17h， 生成 1-(2-Propan-2-yl-1,3-benzothiazol-5-yl)ethanol
  参考文献：
  名称：

  WO2024160277A1

  摘要：

  公开号：
• 作为产物：
  描述：

  5-溴苯并噻唑 、 异丁酸 在 2-吡啶甲酸 、 ferrous(II) sulfate heptahydrate 、 sodium chlorate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 36.0h， 以37%的产率得到5-bromo-2-isopropylbenzo[d]thiazole
  参考文献：
  名称：

  Ligand-Accelerated Iron Photocatalysis Enabling Decarboxylative Alkylation of Heteroarenes

  摘要：

  A mild, practical protocol for the decarboxylative alkylation of heteroarenes has been accomplished via iron photocatalysis. A diverse range of carboxylic acids readily undergo oxidative decarboxylation and then couple with a broad array of heteroarenes in this transformation. The photoexcited state lifetimes of iron complexes are typically much shorter than those of iridium and ruthenium complexes. Here we describe our effort on iron photocatalysis by utilizing the intramolecular charge transfer pathway of iron-carboxylate complexes.

  DOI：

  10.1021/acs.orglett.9b01439

文献信息

• Photoelectrochemical C−H Alkylation of Heteroarenes with Organotrifluoroborates
  作者：Hong Yan、Zhong‐Wei Hou、Hai‐Chao Xu

  DOI：10.1002/anie.201814488

  日期：2019.3.26

  A photoelectrochemical method for the C−H alkylation of heteroarenes with organotrifluoroborates has been developed. The merger of electrocatalysis and photoredox catalysis provides a chemical oxidant‐free approach for the generation and functionalization of alkyl radicals from organotrifluoroborates. A variety of heteroarenes were functionalized using primary, secondary, and tertiary alkyltrifluoroborates

  已经开发了一种用有机三氟硼酸盐进行杂芳烃的CH烷基化的光电化学方法。电催化和光氧化还原催化的合并为有机三氟硼酸盐的烷基自由基的产生和功能化提供了一种无化学氧化剂的方法。使用具有出色的区域选择性和化学选择性的伯，仲和叔烷基三氟硼酸酯对各种杂芳烃进行功能化。
• OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM
  申请人：Masui Moriyasu

  公开号：US20140051691A1

  公开（公告）日：2014-02-20

  The present invention provides a compound of formula (I): wherein —X═ is —CR 7 ═ or —N═, ring B is a substituted or unsubstituted carbocycle or a substituted or unsubstituted heterocycle, R 1 is substituted or unsubstituted alkyl or the like, R 2 a and R 2 b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R 3 and R 4 are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, R 5 is hydrogen, substituted or unsubstituted alkyl or the like, each R 6 is independently halogen, hydroxy, substituted or unsubstituted alkyl or the like, R 7 is hydrogen, halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.

  本发明提供了一种化合物的公式(I)：其中—X═是—CR7═或—N═，环B是取代或未取代的碳环或取代或未取代的杂环，R1是取代或未取代的烷基或类似物，R2和R2'分别独立地是氢、取代或未取代的烷基或类似物，R3和R4分别独立地是氢、卤素、取代或未取代的烷基或类似物，R5是氢、取代或未取代的烷基或类似物，每个R6独立地是卤素、羟基、取代或未取代的烷基或类似物，R7是氢、卤素、羟基、取代或未取代的烷基或类似物，p是0到3的整数，或其在药学上可接受的盐，具有抑制淀粉样蛋白β产生的作用，特别是抑制BACE1的作用，并且可用作由淀粉样蛋白β蛋白的产生、分泌和/或沉积引起的疾病的治疗或预防剂。
• US8883779B2
  申请人：——

  公开号：US8883779B2

  公开（公告）日：2014-11-11
• [EN] DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE<br/>[FR] INHIBITEURS DE LA DOUBLE VOIE DE SIGNALISATION WNT ET ACTIVATEURS D'AMPK DESTINÉS AUX TRAITEMENTS DE MALADIE
  申请人：[en]UNIVERSITY OF MARYLAND, BALTIMORE

  公开号：WO2022256419A1

  公开（公告）日：2022-12-08

  Compounds and compositions are provided as inhibitors of the Wnt/beta-catenin pathway and/or activators of the adenosine monophosphate-activated kinase (AMPK) pathway for the treatment of diseases that implicate the same. Such diseases include cancer o a metabolic disease. Cancers that may be treated by these compounds and compositions include adrenocortical cancer, hepatocellular cancer, hepatoblastoma, malignant melanoma, ovarian cancer, Wilm's tumor, Barrett's esophageal cancer, prostate cancer, colon cancer, colorectal cancer, rectal cancer, pancreatic cancer, bladder cancer, breast cancer (e.g. triple negative breast cancer), gastric cancer, hea & neck cancer, lung cancer, mesothelioma, cervical cancer, uterine cancer, myeloid leukemia cancer, lymphoid leukemia cancer, pilometricoma cancer, medulloblastoma cancer, glioblastoma, and familial adenomatous polyposis. Metabolic diseases include type 2 diabetes, obesity, hyperlipidemia, alcoholic or non-alcoholic fatty liver disease, and liver fibrosis.