6-bromo-2-iodo-1H-indole | 1572177-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-bromo-2-iodo-1H-indole
• CAS: 1572177-89-9
• 化学式: C₈H₅BrIN
• 分子量: 321.943
• InChiKey: KJYIJQVQXAFJSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  6-bromo-2-iodo-1H-indole 在 sodium carbonate 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 水 、 乙腈 为溶剂， 反应 1.67h， 以39%的产率得到(E)-6-bromo-2-(4-(trifluoromethyl)styryl)-1H-indole
  参考文献：
  名称：

  [EN] ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS
  [FR] COMPOSÉS ANTIBACTÉRIENS MODULATEURS DE LA PYRUVATE KINASE, COMPOSITIONS, UTILISATIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  公开号：

  WO2016004513A8
• 作为产物：
  描述：

  6-溴-1H-吲哚-1-羧酸叔丁酯 在 sodium hydroxide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 6-bromo-2-iodo-1H-indole
  参考文献：
  名称：

  [EN] THERAPEUTIC COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS THÉRAPEUTIQUES ET LEURS UTILISATIONS

  摘要：

  本发明涉及式(I)的化合物及其盐，其中A具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作CBP和/或EP300的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种CBP和/或EP300介导的疾病中使用这些化合物和盐的方法。

  公开号：

  WO2016055028A1

文献信息

• [EN] ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR<br/>[FR] COMPOSÉS ANTIBIOTIQUES, LEURS FORMULATIONS PHARMACEUTIQUES, AINSI QUE PROCÉDÉS ASSOCIÉS ET UTILISATIONS ASSOCIÉES
  申请人：UNIV FRASER SIMON

  公开号：WO2017075694A1

  公开（公告）日：2017-05-11

  The present invention relates to compounds of formula (I) wherein G1 to G8 are as defined herein. The compounds are PK inhibitors and as such represent a new approach to treating pathogenic infections, including multidrug resistant pathogens. Disclosed herein are the compounds of formula (I), pharmaceutical compositions comprising the compounds of formula (I) and their use in the treatment of antimicrobial infection. (Formula (1))

  本发明涉及式(I)的化合物，其中G1至G8如本文所定义。这些化合物是PK抑制剂，因此代表了治疗病原体感染的新方法，包括多药耐药病原体。本文披露了式(I)的化合物，包括含有式(I)的药物组合物以及它们在抗微生物感染治疗中的应用。
• [EN] HETEROCYCLIC PAD4 INHIBITORS<br/>[FR] INHIBITEURS DE PAD4 HÉTÉROCYCLIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021163254A1

  公开（公告）日：2021-08-19

  The disclosure generally relates to substituted heterocyclic compounds of Formula (Ia), which are inhibitors of PAD4, method for preparing these compounds, pharmaceutical compositions comprising these compounds and use of these compounds in the treatment of a disease or a disorder associated with PAD4 enzyme activity.

  该披露通常涉及Formula (Ia)的取代杂环化合物，这些化合物是PAD4的抑制剂，制备这些化合物的方法，包含这些化合物的药物组合物以及使用这些化合物治疗与PAD4酶活性相关的疾病或障碍的方法。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10206931B2

  公开（公告）日：2019-02-19

  The present invention relates to compounds of formula (I): and to salts thereof, wherein A has any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 A 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作 CBP 和/或 EP300 的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用此类化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。
• Discovery and optimization of a new class of pyruvate kinase inhibitors as potential therapeutics for the treatment of methicillin-resistant Staphylococcus aureus infections
  作者：Nag S. Kumar、Edie M. Dullaghan、B. Brett Finlay、Huansheng Gong、Neil E. Reiner、J. Jon Paul Selvam、Lisa M. Thorson、Sara Campbell、Nicholas Vitko、Anthony R. Richardson、Roya Zoraghi、Robert N. Young

  DOI：10.1016/j.bmc.2014.01.020

  日期：2014.3

  A novel series of bis-indoles derived from naturally occurring marine alkaloid 4 were synthesized and evaluated as inhibitors of methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase (PK). PK is not only critical for bacterial survival which would make it a target for development of novel antibiotics, but it is reported to be one of the most highly connected 'hub proteins' in MRSA, and thus should be very sensitive to mutations and making it difficult for the bacteria to develop resistance. From the co-crystal structure of cis-3-4-dihydrohamacanthin B (4) bound to S. aureus PK we were able to identify the pharmacophore needed for activity. Consequently, we prepared simple direct linked bis-indoles such as 10b that have similar anti-MRSA activity as compound 4. Structure-activity relationship (SAR) studies were carried out on 10b and led us to discover more potent compounds such as 10c, 10d, 10k and 10m with enzyme inhibiting activities in the low nanomolar range that effectively inhibited the bacteria growth in culture with minimum inhibitory concentrations (MIC) for MRSA as low as 0.5 mu g/ml. Some potent PK inhibitors, such as 10b, exhibited attenuated antibacterial activity and were found to be substrates for an efflux mechanism in S. aureus. Studies comparing a wild type S. aureus with a construct (S. aureus LAC Delta pyk::ErmR) that lacks PK activity confirmed that bactericidal activity of 10d was PK-dependant. (C) 2014 Elsevier Ltd. All rights reserved.
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：EP3204360A1

  公开（公告）日：2017-08-16