2,3-二溴-5-乙氧基-6-羟基-苯甲醛 | 20041-64-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3-二溴-5-乙氧基-6-羟基-苯甲醛
• 英文名称: 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
• CAS: 20041-64-9
• 化学式: C₉H₈Br₂O₃
• mdl: MFCD00297095
• 分子量: 323.969
• InChiKey: MZAISYPWQNBWED-UHFFFAOYSA-N

物化性质

• 沸点：
  336.0±37.0 °C(Predicted)
• 密度：
  1.879±0.06 g/cm3(Predicted)
• 溶解度：
  在DMSO中的溶解度≥15mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-二溴-5-乙氧基-6-羟基-苯甲醛 在 sodium hydroxide 、 silver(l) oxide 作用下， 生成 5,6-Dibrom-o-bourbonalsaeure
  参考文献：
  名称：

  “远距离” -kopplungen在einigen kernsubstituierten Ø -hydroxyanisolen UND verwandten verbindungen

  摘要：

  研究了某些取代的2-羟基苯甲醚衍生物中苯基质子与链质子之间的长距离偶合，尤其是OCH 3，CH 2 OH和CH = CH.CO.CH 3。

  DOI：

  10.1016/0040-4020(72)84037-7

文献信息

• 단백질 티로신 키나아제를 저해하는 화합물 및 이것을 포함하는 암의 치료용 또는 예방용 약학 조성물
  申请人：UIF (University Industry Foundation), Yonsei University 연세대학교 산학협력단(220050095099) BRN ▼110-82-10500

  公开号：KR101639289B1

  公开（公告）日：2016-07-13

  본 발명은 신규 화합물 및 이것의 제조방법에 관한 것으로서, 특히 단백질 티로신 키나아제의 비정상적 활성과 관련된 질환을 치료 또는 예방할 수 있는 약학 조성물에 관한 것이다.

  本发明涉及一种新化合物及其制备方法，特别是涉及一种药学组合物，可以治疗或预防与蛋白酪氨酸激酶异常活性相关的疾病。
• [EN] SUBSTITUTED CHROMENONES, IRE1 INHIBITORS, AND METHODS OF USING SAME<br/>[FR] CHROMÉNONES SUBSTITUÉES, INHIBITEURS D'IRE1 ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：THE WISTAR INST

  公开号：WO2019195135A1

  公开（公告）日：2019-10-10

  The present invention includes substituted chromenones that are useful to inhibit the IRE1/XBP-1 pathway. In certain embodiments, the compounds of the invention inhibit IRE1s RNase activity. In other embodiments, the compounds of the invention are useful to treat or prevent a cancer that involve activation of the ER stress response. The invention also relates, in certain aspects, to the discovery that secretory IgM (sIgM) can orchestrate an immunosuppressive microenvironment by recruiting myeloid-derived suppressor cells (MDSCs) into different tumor models, such as but not limited to solid tumors (such as lung cancer) and tumors that have high levels of secreted IgM. In certain embodiments, sIgM produced by B cells or CLL cells can contribute to the accumulation of MDSCs in a tumor. In other embodiments, inhibition of the IRE1/XBP-1 pathway can ablate, minimize, or reduce MDSC levels in a tumor.

  本发明包括有用于抑制IRE1/XBP-1途径的取代香豆素。在某些实施方式中，本发明的化合物抑制IRE1的RNase活性。在其他实施方式中，本发明的化合物用于治疗或预防涉及ER应激反应激活的癌症。本发明还涉及在某些方面的发现，即分泌型IgM（sIgM）可以通过将髓样来源的抑制细胞（MDSCs）招募到不同的肿瘤模型中，如但不限于固体肿瘤（如肺癌）和具有高水平分泌IgM的肿瘤。在某些实施方式中，由B细胞或CLL细胞产生的sIgM可以促进肿瘤中MDSCs的积累。在其他实施方式中，抑制IRE1/XBP-1途径可以消除、最小化或减少肿瘤中的MDSC水平。
• PDZ DOMAIN MODULATORS
  申请人：Gether Ulrik

  公开号：US20100249165A1

  公开（公告）日：2010-09-30

  This invention relates to compounds useful as PDZ domain modulators, in particular the PDZ domain of PICK1. In other aspects the invention relates to the use of these compounds in a method for therapy and to pharmaceutical compositions.

  本发明涉及用作PDZ结构域调节剂的化合物，特别是用于PICK1的PDZ结构域。在其他方面，本发明涉及这些化合物在治疗方法中的应用以及药物组成物。
• Discovery of ( E )-5-(benzylideneamino)-1 H -benzo[ d ]imidazol-2(3 H )-one derivatives as inhibitors for PTK6
  作者：Hyun Jae Shim、Hye Ran Yang、Han Ie Kim、Shin-Ae Kang、Kyoung Tai No、Young Hoon Jung、Seung-Taek Lee

  DOI：10.1016/j.bmcl.2014.08.036

  日期：2014.10

  A lead compound 1, which inhibits the catalytic activity of PTK6, was selected from a chemical library. Derivatives of compound 1 were synthesized and analyzed for inhibitory activity against PTK6 in vitro and at the cellular level. Selected compounds were analyzed for cytotoxicity in human foreskin fibroblasts using MTT assays and for selectivity towards PTK members in HEK 293 cells. Compounds 20 (in vitro IC50=0.12μM) and 21 (in vitro IC50=0.52μM) showed little cytotoxicity, excellent inhibition of PTK6 in vitro and at the cellular level, and selectivity for PTK6. Compounds 20 and 21 inhibited phosphorylation of specific PTK6 substrates in HEK293 cells. Thus, we have identified novel PTK6 inhibitors that may be used as treatments for PTK6-positive carcinomas, including breast cancer.
• IRE-1alpha INHIBITORS
  申请人：MannKind Corporation

  公开号：US20170152206A1

  公开（公告）日：2017-06-01

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response and can be used as single agents or in combination therapies.