5-isopropyl-1H-pyrimidine-2-thione | 52767-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-isopropyl-1H-pyrimidine-2-thione
• 英文别名: 5-Isopropyl-1H-pyrimidin-2-thion；5-isopropyl-pyrimidine-2-thione；5-(Propan-2-yl)pyrimidine-2(1H)-thione；5-propan-2-yl-1H-pyrimidine-2-thione
• CAS: 52767-85-8
• 化学式: C₇H₁₀N₂S
• 分子量: 154.236
• InChiKey: KWJDJZAGSWZZQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-Ethoxy-2-isopropylacrolein 以97%的产率得到
  参考文献：
  名称：

  KRUSE R.; BREITMAIER E., CHEM. ZTG. , 1977, 101, NO 6, 305-307

  摘要：

  DOI：

文献信息

• PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Dotson Jennafer

  公开号：US20120035208A1

  公开（公告）日：2012-02-09

  Compounds of Formula (I), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer or inflammation mediated by lipid kinases. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  具有化学式（I）的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，对于抑制脂质激酶包括p110α和其他PI3K同源物的活性非常有用，用于治疗由脂质激酶介导的癌症或炎症等疾病。本文披露了使用化合物（I）进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这些疾病，或相关病理条件的方法。
• Inhibitors of cyclin-dependent kinase 7 (CDK7)
  申请人：SYROS PHARMACEUTICALS, INC.

  公开号：US10336760B2

  公开（公告）日：2019-07-02

  The present invention provides novel compounds described herein, such as of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of cyclin-dependent kinase 7 (CDK7), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了本文所述的新型化合物，如式（I）化合物，及其药学上可接受的盐、溶液剂、水合物、同系物、立体异构体、同位素标记的衍生物和组合物。还提供了涉及这些化合物或组合物的方法和试剂盒，用于治疗或预防受试者的增殖性疾病（如癌症（如白血病、黑色素瘤、多发性骨髓瘤）、良性肿瘤、血管生成、炎症性疾病、自身炎症性疾病和自身免疫性疾病）。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制细胞周期蛋白依赖性激酶7（CDK7）的异常活性，从而诱导细胞凋亡和/或抑制受试者体内的转录。
• Herbicidal pyrimidine compounds
  申请人：BASF SE

  公开号：US11178871B2

  公开（公告）日：2021-11-23

  The present invention relates to the use of pyrimidine compounds of formula (I), or their agriculturally acceptable salts or derivatives as herbicides, wherein the variables are defined according to the description, specific pyrimidine compounds of formula (I), compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidal effective amount of at least one pyrimidine compounds of the formula (I) to act on plants, their seed and/or their habitat.

  本发明涉及式（I）嘧啶化合物的用途、 或它们的农业上可接受的盐或衍生物作为除草剂，其中变量是根据描述定义的，具体的式(I)嘧啶化合物，包含它们的组合物和它们作为除草剂的用途，即用于控制有害植物，以及控制不需要的植被的方法，该方法包括让除草有效量的至少一种式(I)嘧啶化合物作用于植物、它们的种子和/或它们的栖息地。
• Determinants of Body Composition in Postmenopausal Women
  作者：J. M. Hagberg、J. M. Zmuda、S. D. McCole、K. S. Rodgers、K. R. Wilund、G. E. Moore

  DOI：10.1093/gerona/55.10.m607

  日期：2000.10.1

  Background. Little is known about the effects of different levels of long-term physical activity on total body and regional fat and whether hormone replacement therapy interacts with physical activity level to affect body composition in postmenopausal women.Methods. We determined the associations between different levels of habitual physical activity, hormone replacement therapy (HRT), and total and regional body composition in postmenopausal women. Twenty sedentary, 20 active nonathletic, and 23 endurance-trained women (approximately half on HRT) had total and regional body composition assessed by dual-energy x-ray absorptiometry. The athletes and active nonathletic women had been active for the same number of years and the same number of hours per week.Results, The athletes and sedentary women weighed the same, but the active nonathletic groups on and not on HRT weighed 3-12 kg more (p < .05). Athletes had less trunk, arm, leg, and total body fat than sedentary and active nonathletic women (p < .05). Women on HRT tended to have lower total body (p = .07), but not regional, fat values. Linear regression analyses indicated that (V) over dot O-2 max in ml/kg/min was the major independent determinant of total and regional; body fat accounting for 52% to 70% of their variances. Athletes had greater caloric and carbohydrate intake than their less active peers, but all groups had similar protein, fat, saturated fat, monounsaturated fat, and polyunsaturated fat intakes.Conclusions. Intense training, but not low- to moderate-intensity physical activity, is associated with markedly lower levels of total and regional body fat in postmenopausal women. HRT has less of an effect on body composition than intense exercise training in postmenopausal women.
• HERBICIDAL PYRIMIDINE COMPOUNDS
  申请人：BASF SE

  公开号：EP3490985B1

  公开（公告）日：2020-08-05