(3-溴-5-氯-苯基)-乙腈 | 1056454-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3-溴-5-氯-苯基)-乙腈
• 中文别名: 3-溴-5-氯苯乙腈
• 英文名称: 2-(3-bromo-5-chlorophenyl)acetonitrile
• CAS: 1056454-88-6
• 化学式: C₈H₅BrClN
• 分子量: 230.491
• InChiKey: MNLUEMZAOJCLTR-UHFFFAOYSA-N

物化性质

• 沸点：
  315.3±27.0 °C(Predicted)
• 密度：
  1.603±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  (3-溴-5-氯-苯基)-乙腈 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以972 mg的产率得到(3-溴-5-氯-苯基)-乙酸
  参考文献：
  名称：

  [EN] TRICYCLIC COMPOUND AS CBL-B INHIBITOR
  [FR] COMPOSÉ TRICYCLIQUE UTILE EN TANT QU'INHIBITEUR DE CBL-B
  [ZH] 作为Cbl-b抑制剂的三环类化合物

  摘要：

  本申请公开了作为Cbl-b抑制剂的式(I)化合物或其立体异构体或其药学上可接受的盐、其制备方法、含有所述式(I)化合物或其立体异构体或其药学上可接受的盐的药物组合物、以及所述式(I)化合物或其立体异构体或其药学上可接受的盐在预防或治疗包括肿瘤或自身免疫性疾病在内的由Cbl-b介导的疾病或病症中的用途。

  公开号：

  WO2023036330A1
• 作为产物：
  描述：

  1-溴-3-(溴甲基)-5-氯苯 、 氰化钠 以 乙醇 为溶剂， 生成 (3-溴-5-氯-苯基)-乙腈
  参考文献：
  名称：

  PPAR ACTIVE COMPOUNDS

  摘要：

  描述了对至少在PPARα、PPARδ和PPARγ中的一个上具有活性的化合物，这些化合物对涉及至少在PPARα、PPARδ和PPARγ中的一个上的调节的治疗和/或预防方法是有用的。

  公开号：

  US20080221127A1

文献信息

• Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer
  作者：Andrew M. Petros、Alla Korepanova、Clarissa G. Jakob、Wei Qiu、Sanjay C. Panchal、Jie Wang、Justin D. Dietrich、Jason T. Brewer、Frauke Pohlki、Andreas Kling、Kyle Wilcox、Viktor Lakics、Lamiaa Bahnassawy、Peter Reinhardt、Sarathy Karunan Partha、Pierre M. Bodelle、Marc Lake、Erik I. Charych、Vincent S. Stoll、Chaohong Sun、Eric G. Mohler

  DOI：10.1021/acs.jmedchem.9b00178

  日期：2019.4.25

  Apolipoprotein E is a 299-residue lipid carrier protein produced in both the liver and the brain. The protein has three major isoforms denoted apoE2, apoE3, and apoE4 which differ at positions 112 and 158 and which occur at different frequencies in the human population. Genome-wide association studies indicate that the possession of two apoE4 alleles is a strong genetic risk factor for late-onset Alzheimer's disease (LOAD). In an attempt to identify a small molecule stabilizer of apoE4 function that may have utility as a therapy for Alzheimer's disease, we carried out an NMR-based fragment screen on the N-terminal domain of apoE4 and identified a benzyl amidine based fragment binder. In addition to NMR, binding was characterized using various other biophysical techniques, and a crystal structure of the bound core was obtained. Core elaboration ultimately yielded a compound that showed activity in an IL-6 and IL-8 cytokine release assay.
• [EN] PPAR ACTIVE COMPOUNDS<br/>[FR] COMPOSÉS ACTIFS SUR PPAR
  申请人：PLEXXIKON INC

  公开号：WO2008109697A2

  公开（公告）日：2008-09-12

  [EN] Compounds are described that are active on at least one of PPARa, PPARd, and PPAR?, which are useful for therapeutic and/or prophylactic methods involving modulation of at least one of PPARa, PPARd, and PPAR?.
  [FR] L'invention concerne des composés actifs sur au moins l'un de PPARa, PPARd et PPAR?, utiles pour des procédés thérapeutiques et/ou prophylactiques impliquant la modulation d'au moins l'un de PPARa, PPARd et PPAR?.
• [EN] COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ASSURANT LA MÉDIATION DE LA DÉGRADATION DE PROTÉINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]MONTE ROSA THERAPEUTICS, INC.

  公开号：WO2023069731A1

  公开（公告）日：2023-04-27

  Described herein, in part, are compounds that bind to and modulate the surface of cereblon and mediate the degradation of GSPT1, and are therefore useful in the treatment of various disorders, such as cancer.
• [EN] BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF<br/>[FR] DÉRIVÉS DE BENZO[C][2,6]NAPHTYRIDINE, COMPOSITIONS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：[en]CAMBRIDGE ENTERPRISE LIMITED

  公开号：WO2022185041A1

  公开（公告）日：2022-09-09

  Provided are compounds of the Formula I, and salts, hydrates and solvates thereof: wherein R1, Q, Ra, Rb, Rc, Rd and Re are each as defined in the specification. The compounds are inhibitors of Casein Kinase 2 alpha (CK2α) and are useful for the treatment and/or prevention of diseases and conditions in which CK2α activity is implicated, such as, for example, but not limited to, the treatment and/or prevention of proliferative disorders (e.g. cancer), viral infections, inflammation, diabetes, vascular and ischemic disorders, neurodegeneration and the regulation of circadian rhythm. The present invention also relates to pharmaceutical compositions comprising the compounds defined herein, to processes for synthesising these compounds and to their use for the treatment of diseases and/or conditions in which CK2α activity is implicated.
• PPAR ACTIVE COMPOUNDS
  申请人：Lin Jack

  公开号：US20080221127A1

  公开（公告）日：2008-09-11

  Compounds are described that are active on at least one of PPARα, PPARδ, and PPARγ, which are useful for therapeutic and/or prophylactic methods involving modulation of at least one of PPARα, PPARδ, and PPARγ.

  描述了对至少在PPARα、PPARδ和PPARγ中的一个上具有活性的化合物，这些化合物对涉及至少在PPARα、PPARδ和PPARγ中的一个上的调节的治疗和/或预防方法是有用的。