O-benzoyl[1,2]dithiolan-4-ol | 478357-63-0

• 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: O-benzoyl[1,2]dithiolan-4-ol
• 英文别名: Dithiolan-4-yl benzoate
• CAS: 478357-63-0
• 化学式: C₁₀H₁₀O₂S₂
• 分子量: 226.32
• InChiKey: CGPCIBIGAQZACJ-UHFFFAOYSA-N

物化性质

• 沸点：
  345.4±31.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-dibromopropan-2-yl benzoate 在 四丁基溴化铵 、 sodium disulfide 作用下， 以 氯仿 、 水 为溶剂， 反应 5.0h， 生成 O-benzoyl[1,2]dithiolan-4-ol
  参考文献：
  名称：

  The first synthesis of natural disulfide bruguiesulfurol and biological evaluation of its derivatives as a novel scaffold for PTP1B inhibitors

  摘要：

  Bruguiesulfurol (1), a cyclic 4-hydroxy-dithiosulfonate isolated from mangrove plant Bruguiera gymnorrhiza, was concisely synthesized for the first time in four steps, and a series of its synthetic derivatives were evaluated for in vitro inhibitory effects on PTP1B and related PTPs. Some derivatives were found to have improved pharmacological profile compared with hit 1. Among them, 5a showed the potent selectivity towards PTP1B over other PTPs, including TCPTP, and 7j exhibited the strongest PTP1B inhibitory activity with an IC50 value of 4.54 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.07.039

文献信息

• [EN] 1,2-DITHIOLANE COMPOUNDS USEFUL IN NEUROPROTECTION, AUTOIMMUNE AND CANCER DISEASES AND CONDITIONS<br/>[FR] COMPOSÉS 1,2-DITHIOLANE UTILES DANS LA NEUROPROTECTION, LES MALADIES ET LES ÉTATS AUTO-IMMUNS ET CANCÉREUX
  申请人：SABILA BIOSCIENCES LLC

  公开号：WO2018049127A1

  公开（公告）日：2018-03-15

  This invention provides confounds of the formula (I): wherein Y1, Y2 Z, X1, X2, and W are defined in the specification. These compounds are useful in the treatment of tyrosine kinases, MAPK signaling pathway kinases and Ρ13K/ΑΚΤ/mTor signaling pathway kinases-mediated diseases; or conditions, such as neurodegeneration, neuroprotection, cancer, autoimmune as well as other diseases and conditions associated with the modulation of tyrosine kinases selected from FYN, FYN Y531F, FLT3, FLT3 -ITD, BRK, ITK, FRK, BTK, BMX, SRC, FGR, YES1, LCK, HCK, RET, CSK, LYN, and ROSI; MAPK pathway kinases selected from ARAF, BRAE CRAP, ERK1 /2, MEK1, MEK2, MEK3, MEK4, MEK5. MEK6, and MEK7; and P13K/AKT/mTor pathway kinases: selected from mTor, P13K a, Ρ13Κ β, P13Kγ, and P13K δ.

  这项发明提供了公式（I）的混合物：其中Y1、Y2、Z、X1、X2和W在规范中定义。这些化合物在治疗酪氨酸激酶、MAPK信号通路激酶和Ρ13K/ΑΚΤ/mTor信号通路激酶介导的疾病；或病况中有用，如神经退行性疾病、神经保护、癌症、自身免疫以及与选择自FYN、FYN Y531F、FLT3、FLT3-ITD、BRK、ITK、FRK、BTK、BMX、SRC、FGR、YES1、LCK、HCK、RET、CSK、LYN和ROSI的酪氨酸激酶调节相关的其他疾病和病况；从ARAF、BRAE CRAP、ERK1/2、MEK1、MEK2、MEK3、MEK4、MEK5、MEK6和MEK7中选择的MAPK通路激酶；以及P13K/AKT/mTor通路激酶：从mTor、P13Kα、Ρ13Κβ、P13Kγ和P13Kδ中选择。
• Sensitive and selective method and device for the detection of trace amounts of a substance
  申请人：Dayagi Y. Yohai

  公开号：US20070117983A1

  公开（公告）日：2007-05-24

  A piezoelectric crystal element and a sensor utilizing the same are presented for use in a sensor device for identifying at least one foreign material from environment. The crystal element comprises at least one crystal resonator in the form of a inverted mesa structure, which has a membrane-like region and has a certain resonance frequency value. A surface region of the crystal resonator is modified by reactive molecules of a kind capable of interacting with the foreign material to yield a reaction product that effects a change in the resonance frequency of the crystal resonator from said certain resonance frequency value. This change is indicative of the identity and quantity of the foreign material.

  提供了一种压电晶体元件和利用该元件的传感器，用于用于识别环境中至少一种外部材料的传感器装置。晶体元件包括至少一个晶体谐振器，其呈倒置台形结构，具有类似薄膜的区域，并具有特定的共振频率值。晶体谐振器的表面区域通过能够与外部材料相互作用以产生影响晶体谐振器的共振频率从所述特定共振频率值变化的反应产物的反应分子进行修改。这种变化表明了外部材料的身份和数量。
• ARRAY OF PIEZOELECTRIC RESONATORS FOR THE DETECTION OF TRACE AMOUNTS OF A SUBSTANCE
  申请人：M.S. Tech Ltd.

  公开号：EP1423685B1

  公开（公告）日：2011-08-24
• 1,2-DITHIOLANE COMPOUNDS USEFUL IN NEUROPROTECTION, AUTOIMMUNE AND CANCER DISEASES AND CONDITIONS
  申请人：Sabila Biosciences LLC

  公开号：EP3509599A1

  公开（公告）日：2019-07-17
• US7159463B2
  申请人：——

  公开号：US7159463B2

  公开（公告）日：2007-01-09