2-hydroxy-5-(pentafluorosulfanyl)benzoic acid | 1801700-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxy-5-(pentafluorosulfanyl)benzoic acid
• 英文别名: 2-hydroxy-5-(pentafluoro-λ⁶-sulfaneyl)benzoic acid；2-Hydroxy-5-(pentafluoro-l6-sulfanyl)benzoic acid；2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzoic acid
• CAS: 1801700-81-1
• 化学式: C₇H₅F₅O₃S
• 分子量: 264.173
• InChiKey: KVJDCMSIZPCNQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-hydroxy-5-(pentafluorosulfanyl)benzoic acid 在 硫酸 、 硝酸 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到2-hydroxy-3-nitro-5-(pentafluorosulfanyl)benzoic acid
  参考文献：
  名称：

  Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5–MYC Protein–Protein Interaction

  摘要：

  The treatment of tumors driven by overexpression or amplification of MYC oncogenes remains a significant challenge in drug discovery. Here, we present a new strategy toward the inhibition of MYC via the disruption of the protein-protein interaction between MYC and its chromatin cofactor WD Repeat-Containing Protein 5. Blocking the association of these proteins is hypothesized to disrupt the localization of MYC to chromatin, thus disrupting the ability of MYC to sustain tumorigenesis. Utilizing a high-throughput screening campaign and subsequent structure-guided design, we identify small-molecule inhibitors of this interaction with potent in vitro binding affinity and report structurally related negative controls that can be used to study the effect of this disruption. Our work suggests that disruption of this protein-protein interaction may provide a path toward an effective approach for the treatment of multiple tumors and anticipate that the molecules disclosed can be used as starting points for future efforts toward compounds with improved drug-like properties.

  DOI：

  10.1021/acs.jmedchem.9b01411
• 作为产物：
  描述：

  phenyl 2-hydroxy-5-(pentafluorosulfanyl)benzoate 在 水 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到2-hydroxy-5-(pentafluorosulfanyl)benzoic acid
  参考文献：
  名称：

  [EN] WDR5-MYC INHIBITORS
  [FR] INHIBITEURS DE WDR5-MYC

  摘要：

  取代的N-苯基磺酰胺化合物可以抑制WDR5-MYC相互作用，这些化合物及其药物组合物可用于治疗受试者中的疾病和状况，如癌细胞增殖。

  公开号：

  WO2021021951A1

文献信息

• [EN] DEUTERATED NO-RELEASING NITROOXY-CHROMENE CONJUGATES<br/>[FR] CONJUGUÉS DE NITROOXY-CHROMÈNE DEUTÉRÉ LIBÉRANT DU NO
  申请人：EUCLISES PHARMACEUTICALS INC

  公开号：WO2015109013A1

  公开（公告）日：2015-07-23

  The present invention provides deuterated NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1) wherein Z, R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).
• [EN] DEUTERATED NO-RELEASING NONOATE(OXYGEN-BOUND)CHROMENE CONJUGATES<br/>[FR] CONJUGUÉS DE CHROMÈNE DÉUTÉRÉ NONOATE(OXYGÈNE-LIÉ) LIBÉRANT DU NO
  申请人：EUCLISES PHARMACEUTICALS INC

  公开号：WO2015109017A2

  公开（公告）日：2015-07-23

  The present invention provides deuterated NO-releasing NONOate(oxygen bound)chromene conjugates, having the structure of Formula (I): wherein Z, R1, R2, R3, R4, R5, R6, and R7 are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer, or treating actinic keratosis, cystic fibrosis, or acne, using a compound of Formula (I).