1-(5-bromoindolin-1-yl)propan-1-one

• 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: 1-(5-bromoindolin-1-yl)propan-1-one
• 英文别名: 5-Bromo-1-propionylindoline；1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
• 化学式: C₁₁H₁₂BrNO
• mdl: MFCD14280884
• 分子量: 254.126
• InChiKey: OENLPKMTZQJTFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(5-bromoindolin-1-yl)propan-1-one 在 吡啶 、 氨 、 氢气 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 50.0~70.0 ℃ 、4.0 MPa 条件下， 反应 102.5h， 生成 N-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)-methyl]-thiophen-2-ylsulfonamide
  参考文献：
  名称：

  Identifying new lead structures to enhance tolerance towards drought stress via high-throughput screening giving crops a quantum of solace

  摘要：

  Novel synthetic lead structures interacting with RCAR/(PYR/PYL) receptor proteins were identified based on the results of a high-throughput screening campaign of a large compound library followed by focused SAR studies of the three most promising hit clusters. Whilst indolinylmethyl sulfonamides 8y,z and phenylsulfonyl ethylenediamines 9y,z showed strong affinities for RCAR/ (PYR/PYL) receptor proteins in wheat, thiotriazolyl acetamides 7f,s exhibited promising efficacy against drought stress in vivo (wheat, corn and canola) combined with confirmed target interaction in wheat and arabidopsis thaliana. Remarkably, binding affinities of several representatives of 8 and 9 were on the same level or even better than the essential plant hormone abscisic acid (ABA).

  DOI：

  10.1016/j.bmc.2019.115142
• 作为产物：
  描述：

  1-(2,3-二氢吲哚-1-基)丙烷-1-酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 反应 1.5h， 生成 1-(5-bromoindolin-1-yl)propan-1-one
  参考文献：
  名称：

  Identifying new lead structures to enhance tolerance towards drought stress via high-throughput screening giving crops a quantum of solace

  摘要：

  Novel synthetic lead structures interacting with RCAR/(PYR/PYL) receptor proteins were identified based on the results of a high-throughput screening campaign of a large compound library followed by focused SAR studies of the three most promising hit clusters. Whilst indolinylmethyl sulfonamides 8y,z and phenylsulfonyl ethylenediamines 9y,z showed strong affinities for RCAR/ (PYR/PYL) receptor proteins in wheat, thiotriazolyl acetamides 7f,s exhibited promising efficacy against drought stress in vivo (wheat, corn and canola) combined with confirmed target interaction in wheat and arabidopsis thaliana. Remarkably, binding affinities of several representatives of 8 and 9 were on the same level or even better than the essential plant hormone abscisic acid (ABA).

  DOI：

  10.1016/j.bmc.2019.115142

文献信息

• WO2019213570A5
  申请人：——

  公开号：WO2019213570A5

  公开（公告）日：2022-06-01
• CANCER TREATMENTS TARGETING CANCER STEM CELLS
  申请人：Remedy Plan, Inc.

  公开号：EP3787612A1

  公开（公告）日：2021-03-10
• [EN] SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER<br/>[FR] SYSTÈMES, PROCÉDÉS ET COMPOSITIONS PERMETTANT DE PRÉDIRE LA MÉTASTASE DANS LE CANCER DE LA VESSIE
  申请人：GENOMEDX BIOSCIENCES INC

  公开号：WO2017205972A1

  公开（公告）日：2017-12-07

  The present invention relates to methods, systems and kits for the diagnosis, prognosis and the determination of cancer progression in a subject having cancer. The invention also provides methods, systems and kits for treating cancer in a subject. The methods, systems and kits comprise expression- based analysis of biomarkers. Further disclosed herein, in certain instances, are probe sets for use in assessing a cancer status in a subject. Further disclosed herein are classifiers for analyzing a cancer, such as, for example, bladder cancer. The invention further provides genomic classifiers useful for predicting lymph node metastasis in subjects having bladder cancer.
• Pyridine-based small molecule inhibitors of SARM1 alleviate cell death caused by NADase activity
  作者：Qingxuan Tang、Hang Yin

  DOI：10.1039/d4cc02650k

  日期：——

  TH-408 counters toxicity by inhibiting SARM1 activation and NAD+ depletion, offering a promising approach to cell death prevention.