3-iododibenzo[b,d]thiophene 5,5-dioxide | 1240288-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-iododibenzo[b,d]thiophene 5,5-dioxide
• 英文别名: 3-iododibenzothiophene 5,5-dioxide
• CAS: 1240288-75-8
• 化学式: C₁₂H₇IO₂S
• 分子量: 342.157
• InChiKey: NRGPVZFRIOCRQC-UHFFFAOYSA-N

物化性质

• 沸点：
  496.8±24.0 °C(Predicted)
• 密度：
  1.933±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-iododibenzo[b,d]thiophene 5,5-dioxide 、 tert-butyl (4-chloro-2-ethynylphenoxy)acetate 在 哌啶 、 trans-bis(triphenylphosphine)palladium dichloride 、 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 18.0h， 以65%的产率得到{4-chloro-2-[(5,5-dioxidodibenzo[b,d]thien-3-yl)ethynyl]phenoxy}acetic acid
  参考文献：
  名称：

  Discovery of Potent, Selective, and Orally Bioavailable Alkynylphenoxyacetic Acid CRTH2 (DP2) Receptor Antagonists for the Treatment of Allergic Inflammatory Diseases

  摘要：

  New phenoxyacetic acid antagonists of CRTH2 are described. Following the discovery of a hit compound by a focused screening, high protein binding was identified as its main weakness. Optimization aimed at reducing serum protein binding led to the identification of several compounds that showed not only excellent affinities for the receptor (41 compounds with K-i < 10 nM) but also excellent potencies in a human whole blood assay (IC50 < 100 nM; PGD2-induced eosinophil shape change). Additional optimization of the PK characteristics led to the identification of several compounds suitable for in vivo testing. Of these, 19k and 19s were tested in two different pharmacological models (acute FITC-mediated contact hypersensitivity and ovalbumin-induced eosinophilia models) and found to be active after oral dosing (10 and 30 mg/kg).

  DOI：

  10.1021/jm200866y
• 作为产物：
  描述：

  4-fluoro-3-iodo(methyl)sulfonylbenzene 、 3-Amino-dibenzothiophen-5,5-dioxid 生成 3-iododibenzo[b,d]thiophene 5,5-dioxide
  参考文献：
  名称：

  PHENOXY ACETIC ACID DERIVATIVES

  摘要：

  本发明提供了公式(I)的苯氧乙酸衍生物，用于治疗与CRTH2相关的疾病和疾病，包括哮喘，特应性皮炎和炎症性皮肤病。

  公开号：

  US20110288066A1

文献信息

• [EN] PHENOXY ACETIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE PHÉNOXYACÉTIQUE
  申请人：MERCK SERONO SA

  公开号：WO2010092043A1

  公开（公告）日：2010-08-19

  The present invention provides phenoxyacetic acid derivatives of Formula (I) for the treatment of CRTH2 related disorders and disease selected from asthma, atopic dermatitis and inflammatory dermatoses.

  本发明提供了用于治疗与CRTH2相关的疾病和疾病（包括哮喘、特应性皮炎和炎症性皮肤病）的Formula（I）的苯氧乙酸衍生物。
• Phenoxy acetic acid derivatives
  申请人：Merck Serono SA

  公开号：US08273769B2

  公开（公告）日：2012-09-25

  The present invention provides phenoxyacetic acid derivatives of Formula (I) for the treatment of CRTH2 related disorders and disease selected from asthma, atopic dermatitis and inflammatory dermatoses.

  本发明提供了式（I）的苯氧乙酸衍生物，用于治疗与CRTH2相关的疾病和疾病，包括哮喘、特应性皮炎和炎症性皮肤病。
• ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：EP3663300A1

  公开（公告）日：2020-06-10

  An organic electroluminescence device of an embodiment includes a first electrode, a second electrode and a plurality of organic layers disposed between the first electrode and the second electrode, in which at least one of the organic layers includes a polycyclic compound including a plurality of electron donors and an electron acceptor connecting the electron donors, at least one of the electron donors is a condensed ring including a borepine core, and the electron acceptor includes a phenyl group including, as a substituent, at least one cyano group or a heterocycle including at least one nitrogen atom, or a heteroaryl group including an oxygen atom or a sulfur atom for forming a ring, thereby achieving improved emission efficiency.

  一个实施例的有机电致发光器件包括第一电极、第二电极和设置在第一电极和第二电极之间的多个有机层，其中至少一个有机层包括多环化合物，该化合物包括多个电子供体和连接电子供体的电子受体、电子供体中至少有一个是包括孔雀石核的缩合环，而电子受体包括作为取代基的苯基，该苯基包括至少一个氰基或包括至少一个氮原子的杂环，或包括氧原子或硫原子的杂芳基，以形成一个环，从而实现更高的发射效率。
• EP3663300B1
  申请人：——

  公开号：EP3663300B1

  公开（公告）日：2021-09-29
• US8273769B2
  申请人：——

  公开号：US8273769B2

  公开（公告）日：2012-09-25