2-Isopropylthio-3,3-dimethyl-buten-(1) | 50407-11-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Isopropylthio-3,3-dimethyl-buten-(1)
• 英文别名: 2-isopropylsulfanyl-3,3-dimethyl-but-1-ene；3,3-Dimethyl-2-propan-2-ylsulfanylbut-1-ene
• CAS: 50407-11-9
• 化学式: C₉H₁₈S
• 分子量: 158.308
• InChiKey: SMORNQLZMNGOKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  thiopinacolone 、 2-重氮丙烷 生成 tert-butyl-trimethyl-thiirane 、 2-Isopropylthio-3,3-dimethyl-buten-(1)
  参考文献：
  名称：

  Beiner,J.M. et al., Bulletin de la Societe Chimique de France, 1973, p. 1983 - 1987

  摘要：

  DOI：

文献信息

• Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof
  申请人：ZHEJIANG UNIVERSITY

  公开号：US11319300B2

  公开（公告）日：2022-05-03

  A polyfluoro-substituted aromatic heterocyclic derivative having the structure as represented by formula I or formula I′, wherein at least one of R1 and R2 is a fluorine atom, and at least two substituents of Rc, Rd, Re, and Rf are fluorine atoms; and an optical isomer of the derivative, or a pharmaceutically acceptable salt or solvate of the same, or a pharmaceutically acceptable salt or solvate of the optical isomer of the same. A composition containing the polyfluoro-substituted aromatic heterocyclic derivative and an application of the composition in preparing an anti-tumour medicament. The compound provides significant inhibitory effects with respect to Akt1 and demonstrates strong proliferation inhibitory activity with respect to tumour cell lines such as an ovarian cancer cell line, a colon cancer cell line, and a prostate cancer cell line. Therefore, the compound may be used as an Akt inhibitor in the medicament for treating a cell proliferation-related solid tumour or blood cancer in the human or animal body.

  一种具有式Ⅰ或式Ⅰ′所代表结构的多氟取代芳香杂环衍生物，其中R1和R2中至少有一个是氟原子，Rc、Rd、Re和Rf中至少有两个取代基是氟原子；以及该衍生物的光学异构体，或其药学上可接受的盐或溶液，或其光学异构体的药学上可接受的盐或溶液。一种含有多氟取代芳香杂环衍生物的组合物，以及该组合物在制备抗肿瘤药物中的应用。该化合物对 Akt1 具有明显的抑制作用，对卵巢癌细胞系、结肠癌细胞系和前列腺癌细胞系等肿瘤细胞系具有很强的增殖抑制活性。因此，该化合物可作为一种 Akt 抑制剂，用于治疗人或动物体内与细胞增殖相关的实体瘤或血癌的药物中。
• POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF
  申请人：ZHEJIANG UNIVERSITY

  公开号：US20200165229A1

  公开（公告）日：2020-05-28

  A polyfluoro-substituted aromatic heterocyclic derivative having the structure as represented by formula I or formula I′, wherein at least one of Ri and R 2 is a fluorine atom, and at least two substituents of Rc, Rd, Re, and Rf are fluorine atoms; and an optical isomer of the derivative, or a pharmaceutically acceptable salt or solvate of the same, or a pharmaceutically acceptable salt or solvate of the optical isomer of the same. A composition containing the polyfluoro-substituted aromatic heterocyclic derivative and an application of the composition in preparing an anti-tumour medicament. The compound provides significant inhibitory effects with respect to Aktl and demonstrates strong proliferation inhibitory activity with respect to tumour cell lines such as an ovarian cancer cell line, a colon cancer cell line, and a prostate cancer cell line. Therefore, the compound may be used as an Akt inhibitor in the medicament for treating a cell proliferation-related solid tumour or blood cancer in the human or animal body.
• PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032229A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a pyridine ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, R 1 R 2 N—, hydroxy, or unsubstituted or substituted aryl; Y is independently selected from hydrogen, halogen, cyano, nitro, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; r is an integer from 0 to 4, m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, alkenyl, alkynyl, and cycloalkyl, etc.; R 1 , R 2 , R 3 are each independently hydrogen, nitro, or hydroxy, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.