4-(isopropylsulfonyl)benzaldehyde | 84264-90-4

• 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: 4-(isopropylsulfonyl)benzaldehyde
• 英文别名: 4-(propane-2-sulfonyl)-benzaldehyde；4-(Propan-2-sulfonyl)-benzaldehyd；4-isopropylsulphonylbenzaldehyde；4-propan-2-ylsulfonylbenzaldehyde
• CAS: 84264-90-4
• 化学式: C₁₀H₁₂O₃S
• 分子量: 212.269
• InChiKey: ZHCJRFHNXTWYKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(isopropylsulfonyl)benzaldehyde 在 sodium tetrahydroborate 、 三溴化磷 、 sodium hydride 作用下， 以 乙醚 、 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 34.5h， 生成 methyl 2-(1-(4-(isopropylsulfonyl)benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
  参考文献：
  名称：

  Discovery of Fevipiprant (NVP-QAW039), a Potent and Selective DP₂ Receptor Antagonist for Treatment of Asthma

  摘要：

  Further optimization of an initial DP2 receptor antagonist clinical candidate NVP-QAV680 led to the discovery of a follow-up molecule 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-ypacetic acid (compound 11, NVP-QAW039, fevipiprant), which exhibits improved potency on human eosinophils and Th2 cells, together with a longer receptor residence time, and is currently in clinical trials for severe asthma.

  DOI：

  10.1021/acsmedchemlett.7b00157
• 作为产物：
  描述：

  4-(propane-2-sulfonyl)-benzoyl chloride 在 Pd-BaSO₄ 、 xylene 作用下， 生成 4-(isopropylsulfonyl)benzaldehyde
  参考文献：
  名称：

  DE934590

  摘要：

  公开号：

文献信息

• Tetrahydronaphthalene and indane compounds useful as anti-tumor agents
  申请人：Hoffmann-La Roche Inc.

  公开号：US04396553A1

  公开（公告）日：1983-08-02

  This invention is directed to tetrahydronaphthalene and indane compounds and processes thereto. These compounds are useful as tumor inhibiting agents, in the treatment of neoplasms and dermatological conditions.

  本发明涉及四氢萘和茚烷化合物及其制备方法。这些化合物可用作肿瘤抑制剂，在肿瘤和皮肤病的治疗中有用。
• Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors
  申请人：Orion Corporation

  公开号：US10717726B2

  公开（公告）日：2020-07-21

  Compounds of formula (I) wherein R1, R2, R3, R4, R5, R23, R24, L, A and B are as defined in claim 1, or pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as cytochrome P450 monooxygenase 11A1 (CYP11A1) inhibitors. The compounds are useful as medicaments in the treatment of steroid receptor, particularly androgen receptor, dependent diseases and conditions, such as prostate cancer.

  式(I)化合物 其中 R1、R2、R3、R4、R5、R23、R24、L、A 和 B 如权利要求 1 所定义，或公开了其药学上可接受的盐。式（I）化合物具有细胞色素 P450 单氧化酶 11A1 (CYP11A1) 抑制剂的作用。这些化合物可用作治疗类固醇受体，特别是雄激素受体依赖性疾病和病症，如前列腺癌的药物。
• Primary leiomyosarcoma of the heart subsequent to double carcinomas of the thyroid and lung
  作者：M. Fukuoka、Makoto Hagiwara、Shinya Shimoshige、Akifumi Hirata、Takeo Adachi、Hiroaki Komura、Tetsuro Shoji、Tsuyoshi Kikuiri、Katsuya Ikeda、Nozomu Kimura、Yasunori Fujisawa

  DOI：10.1007/pl00007262

  日期：2000.3

  A 63-year-old woman underwent surgical operations for left lower lung cancer and for thyroid cancer. Nine months later, a third cancer developed in her heart and this tumor was removed by open heart surgery. A pathologic study revealed that the tumor was primary leiomyosarcoma of the heart and thus independent from the previous lung and thyroid carcinomas. This case was regarded as a triple carcinoma including a primary leiomyosarcoma arising from the left atrium. Reports in the literature on primary malignant tumors of the heart are reviewed briefly.
• BE544031
  申请人：——

  公开号：——

  公开（公告）日：——
• PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS
  申请人：Orion Corporation

  公开号：EP3558981B1

  公开（公告）日：2021-05-26