4-乙基-3-异丙基-1H-1,2,4-噻唑-5(4h)-酮 | 135301-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-乙基-3-异丙基-1H-1,2,4-噻唑-5(4h)-酮
• 中文别名: 4-乙基-3-异丙基-1H-1,2,4-三唑-5(4H)-酮
• 英文名称: 4-Ethyl-3-isopropyl-1H-1,2,4-triazol-5(4H)-one
• 英文别名: 4-ethyl-3-propan-2-yl-1H-1,2,4-triazol-5-one
• CAS: 135301-61-0
• 化学式: C₇H₁₃N₃O
• 分子量: 155.2
• InChiKey: ZPXQXYATFQVNLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

文献信息

• BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Do Steven

  公开号：US20090247567A1

  公开（公告）日：2009-10-01

  Benzopyran and benzoxepin compounds of Formulas I and II, 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 mediated by lipid kinases. Methods of using compounds of Formulas I and II for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzopyran和benzoxepin的化合物I和II的分子式，包括其立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和药学上可接受的盐，可用于抑制脂质激酶，包括p110 alpha和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用分子式I和II的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Blaquiere Nicole

  公开号：US20110076291A1

  公开（公告）日：2011-03-31

  Benzoxepin compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z 1 is CR 1 or N; Z 2 is CR 2 or N; Z 3 is CR 3 or N; Z 4 is CR 4 or N; and where (i) X 1 is N and X 2 is S, (ii) X 1 is S and X 2 is N, (iii) X 1 is CR 7 and X 2 is S, (iv) X 1 is S and X 2 is CR 7 ; (v) X 1 is NR 8 and X 2 is N, (vi) X 1 is N and X 2 is NR 8 , (vii) X 1 is CR 7 and X 2 is O, (viii) X 1 is O and X 2 is CR 7 , (ix) X 1 is CR 7 and X 2 is C(R 7 ) 2 , (x) X 1 is C(R 7 ) 2 and X 2 is CR 7 ; (xi) X 1 is N and X 2 is O, or (xii) X 1 is O and X 2 is N, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer 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.

  Formula I中的苯并氧杂环化合物，包括立体异构体、几何异构体、互变异构体、溶剂化合物、代谢物和其药学上可接受的盐，其中：Z1为CR1或N；Z2为CR2或N；Z3为CR3或N；Z4为CR4或N；其中（i）X1为N且X2为S，（ii）X1为S且X2为N，（iii）X1为CR7且X2为S，（iv）X1为S且X2为CR7；（v）X1为NR8且X2为N，（vi）X1为N且X2为NR8，（vii）X1为CR7且X2为O，（viii）X1为O且X2为CR7，（ix）X1为CR7且X2为C(R7)2，（x）X1为C(R7)2且X2为CR7；（xi）X1为N且X2为O，或（xii）X1为O且X2为N，用于抑制脂质激酶，包括p110α和PI3K的其他同工酶，并用于治疗由脂质激酶介导的癌症等疾病。公开了利用Formula I中的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理状况的方法。
• BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Blaquiere Nicole

  公开号：US20110076292A1

  公开（公告）日：2011-03-31

  Benzoxazepin compounds of Formula I, including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z 1 is CR 1 or N; Z 2 is CR 2 or N; Z 3 is CR 3 or N; Z 4 is CR 4 or N; and B is a pyrazolyl, imidazolyl, or triazolyl ring fused to the benzoxepin ring, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer 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.

  方程式I中的苯并噁唑啉化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢物及其药用可接受盐，其中：Z1为CR1或N；Z2为CR2或N；Z3为CR3或N；Z4为CR4或N；B为与苯并噁唑啉环融合的吡唑基、咪唑基或三唑基环，用于抑制脂质激酶包括p110 alpha和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用方程式I中的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• Potassium Channel Inhibitors
  申请人：Dinsmore J. Christoph

  公开号：US20080090794A1

  公开（公告）日：2008-04-17

  The present invention relates to compounds having the structure useful as potassium channel inhibitors to treat cardiac arrhythmias, and the like.

  本发明涉及具有以下结构的化合物，用作钾通道抑制剂，用于治疗心律失常等。
• Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment
  申请人：AGENEBIO, INC.

  公开号：US11312721B2

  公开（公告）日：2022-04-26

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a α5-containing GABAA receptor agonist (e.g., a α5-containing GABAA receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age-Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease (AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction.

  本发明涉及苯并二氮杂卓衍生物、包含治疗有效量的这些苯并二氮杂卓衍生物的组合物以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。特别是，它涉及使用含 α5 的 GABAA 受体激动剂（如本文所述的含α5的GABAA受体正性异位调节剂）用于治疗有需要或有风险的受试者与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于有年龄相关认知障碍、轻度认知障碍（MCI）、失忆性MCI（aMCI）、年龄相关记忆障碍（AAMI）的受试者或有此类风险的受试者、与年龄相关的认知功能减退 (ARCD)、痴呆、阿尔茨海默病 (AD)、前驱 AD、创伤后应激障碍 (PTSD)、精神分裂症、双相情感障碍、肌萎缩性脊髓侧索硬化症 (ALS)、与癌症治疗相关的认知功能障碍、精神发育迟滞、帕金森病 (PD)、自闭症谱系障碍、脆性 X 障碍、雷特综合征、强迫行为和药物成瘾。