5-氟-2-(甲基磺酰基)苯甲醛 | 849035-71-8

• 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: 5-氟-2-(甲基磺酰基)苯甲醛
• 英文名称: 5-fluoro-2-(methylsulfonyl)benzaldehyde
• 英文别名: 5-fluoro-2-methylsulfonylbenzaldehyde
• CAS: 849035-71-8
• 化学式: C₈H₇FO₃S
• mdl: MFCD04037936
• 分子量: 202.206
• InChiKey: RNTFMXNEDDIEGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.3±42.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  5-氟-2-(甲基磺酰基)苯甲醛 在 sodium tetrahydroborate 、 四(三苯基膦)钯 、 sodium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-(1-benzothiophen-2-yl)-N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-1-methylindazol-5-amine
  参考文献：
  名称：

  A series of novel indazole derivatives of Sirt 1 activator as osteogenic regulators

  摘要：

  A series of indazole derivatives were identified as Sirt 1 activators though high-throughput screening. Optimization of each substituent on the indazole ring led to the identification of compound 13. Compound 13 appeared to give the best Sirt 1 activity of the compounds tested and also showed osteogenesis activity in a cell assay. Sirt 1 activators are therefore potential candidates for the treatment of (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.09.049

文献信息

• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20090286782A1

  公开（公告）日：2009-11-19

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one of Fms protein kinase or Kit protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Fms protein kinases and/or Kit protein kinases, including rheumatoid arthritis, osteoarthritis, osteoporosis, peri-prosthetic osteolysis, systemic sclerosis, demyelinating disorders, multiple sclerosis, Charcot Marie Tooth syndrome, amyotrophic lateral sclerosis, Alzheimer's disease, Parkinson's disease, ulcerative colitis, Crohn's disease, immune thrombocytopenic purpura, myelopreparation for autologous transplantation, transplant rejection, nephritis, nephropathy, type I diabetes, acute pain, inflammatory pain, neuropathic pain, breast cancer, prostate cancer, pancreatic cancer, lung cancer, ovarian cancer, gliomas, glioblastomas, neurofibromatosis, osteolytic bone metastases, and giant cell tumors.

  描述了化合物及其盐，配方，共轭物，衍生物，形式和用途。在某些方面和实施例中，所述的化合物或其盐，配方，共轭物，衍生物，形式对Fms蛋白激酶或Kit蛋白激酶至少有一种活性。还描述了使用这些方法来治疗疾病和症状，包括与Fms蛋白激酶和/或Kit蛋白激酶活性相关的疾病和症状，包括类风湿关节炎，骨关节炎，骨质疏松症，周围假体周围骨溶解，系统性硬化症，脱髓鞘疾病，多发性硬化症，沙科特-玛丽-屈特综合症，肌萎缩侧索硬化症，阿尔茨海默病，帕金森病，溃疡性结肠炎，克罗恩病，免疫性血小板减少性紫癜，自体移植的骨髓准备，移植排斥反应，肾炎，肾病，I型糖尿病，急性疼痛，炎症性疼痛，神经病性疼痛，乳腺癌，前列腺癌，胰腺癌，肺癌，卵巢癌，神经胶质瘤，胶质母细胞瘤，神经纤维瘤病，骨转移性溶骨病和巨细胞瘤。
• Piperidinyl-substituted isoquinolone derivatives
  申请人：Plettenburg Oliver

  公开号：US20090093518A1

  公开（公告）日：2009-04-09

  The invention relates to 6-piperidinyl-substituted isoquinolone derivatives of the formula (I) or isoquinoline derivatives of the formula (I′) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及公式（I）的6-哌啶基取代的异喹啉衍生物或公式（I'）的异喹啉衍生物，用于治疗和/或预防与Rho激酶和/或Rho激酶介导的肌球蛋白轻链磷酸酶磷酸化相关的疾病，以及含有这种化合物的组合物。
• Substituted isoquinoline and isoquinolinone derivatives
  申请人：PLETTENBURG Oliver

  公开号：US20100105650A1

  公开（公告）日：2010-04-29

  The invention relates to 6-substituted isoquinoline and isochinolone derivatives of the formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及公式（I）的6-取代异喹啉和异喹啉衍生物，可用于治疗和/或预防与Rho-激酶和/或Rho-激酶介导的肌球蛋白轻链磷酸酶磷酸化相关的疾病，以及含有这种化合物的组合物。
• The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain
  作者：Hiromitsu Shirahashi、Eisuke Toriihara、Yoshihito Suenaga、Hideyuki Yoshida、Kensuke Akaogi、Yukiko Endou、Makoto Wakabayashi、Misato Takashima

  DOI：10.1016/j.bmcl.2019.06.018

  日期：2019.8

  The design, synthesis, and biological evaluation of novel 3-aryl-indazole derivatives as peripherally selective pan-Trk inhibitors are described. Three strategies were used to obtain a potent compound exhibiting low central nervous system (CNS) penetration and high plasma exposure: 1) a structure-based drug design (SBDD) approach was used to improve potency; 2) a substrate for an efflux transporter for lowering brain penetration was explored; and 3) the most basic pKa (pKa-MB) value was used as an indicator to identify compounds with good membrane permeability. This enabled the identification of the peripherally targeted 17c with the potency, kinase-selectivity, and plasma exposure required to demonstrate in vivo efficacy in a Complete Freund's adjuvant (CFA)-induced thermal hypersensitivity model.
• US8158636B2
  申请人：——

  公开号：US8158636B2

  公开（公告）日：2012-04-17