(1-triazolyl-1,2,4)-2 butane | 63936-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1-triazolyl-1,2,4)-2 butane
• 英文别名: 1-sec-butyl-1H-[1,2,4]triazole；1-sek.-Butyl-1H-1.2.4-triazol；1H-1,2,4-Triazole, 1-(1-methylpropyl)-；1-butan-2-yl-1,2,4-triazole
• CAS: 63936-01-6
• 化学式: C₆H₁₁N₃
• 分子量: 125.173
• InChiKey: HOZBBTBEEKCTTO-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119 °C(Solv: benzene (71-43-2))
• 沸点：
  75-76 °C(Press: 4 Torr)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-Amino-1-sec-butyl-4H-[1,2,4]triazol-1-ium; bromide 在 盐酸 、 sodium nitrite 作用下， 以85%的产率得到(1-triazolyl-1,2,4)-2 butane
  参考文献：
  名称：

  Synthesis of 1-alkyl-1,2,4-triazoles: a new one-pot regiospecific procedure

  摘要：

  DOI：

  10.1021/jo00264a048

文献信息

• C7- substituted camptothecin analogs
  申请人：Narkunan Kesavaram

  公开号：US20090099224A1

  公开（公告）日：2009-04-16

  The novel C7-modified camptothecin analogs, and pharmaceutically-acceptable salts thereof, of the present invention: (i) possess potent antitumor activity (i.e., in nanomolar or subnanomolar concentrations) for inhibiting the growth of human and animal tumor cells in vitro; (ii) are potent inhibition of Topoisomerase I; (iii) lack of susceptibility to MDR/MRP drug resistance; (iv) require no metabolic drug activation: (v) lack glucuronidation of the A-ring or B-ring; (vi) reduce drug-binding affinity to plasma proteins; (vii) maintain lactone stability; (viii) maintain drug potency; and (ix) possess a low molecular weight (e.g., MW<600).

  本发明的C7修饰的紫杉醇类似物及其药用盐具有以下特点：(i) 在体外对人类和动物肿瘤细胞的生长具有强大的抗肿瘤活性（即在纳摩尔或亚纳摩尔浓度下）；(ii) 对拓扑异构酶I有强大的抑制作用；(iii) 不易受到MDR/MRP药物耐药性的影响；(iv) 无需代谢激活；(v) 不发生A环或B环的葡萄糖醛酸化；(vi) 减少药物与血浆蛋白的结合亲和力；(vii) 保持内酯稳定性；(viii) 保持药效；以及(ix) 具有较低的分子量（例如，分子量<600）。
• [EN] C7-SUBSTITUTED CAMPTOTHECIN ANALOGS<br/>[FR] ANALOGUES DE CAMPTOTHÉCINE SUBSTITUÉS EN C7
  申请人：BIONUMERIK PHARMACEUTICALS INC

  公开号：WO2009051580A1

  公开（公告）日：2009-04-23

  The novel C7-modified camptothecin analogs, and pharmaceutically-acceptable salts thereof, of the present invention: (i) possess potent antitumor activity (i.e., in nanomolar or subnanomolar concentrations) for inhibiting the growth of human and animal tumor cells in vitro; (ii) are potent inhibition of Topoisomerase I; (iii) lack of susceptibility to MDR/MRP drug resistance; (iv) require no metabolic drug activation: (v) lack glucuronidation of the A-ring or B- ring; (vi) reduce drug-binding affinity to plasma proteins; (vii) maintain lactone stability; (viii) maintain drug potency; and (ix) possess a low molecular weight (e.g., MW<600).

  本发明的C7-修饰紫杉醇类似物及其药用盐具有以下特点：(i) 在体外对人类和动物肿瘤细胞的生长具有强大的抗肿瘤活性（即在纳摩尔或亚纳摩尔浓度下）；(ii) 对拓扑异构酶I有强大的抑制作用；(iii) 不易受到MDR/MRP药物耐药性的影响；(iv) 无需代谢激活；(v) 不发生A环或B环的葡萄糖醛酸化；(vi) 减少药物与血浆蛋白的结合亲和力；(vii) 保持内酯的稳定性；(viii) 保持药物的效力；以及(ix) 具有较低的分子量（例如，分子量<600）。
• ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：EP3190110A1

  公开（公告）日：2017-07-12

  The present invention provides compounds of formula (I) wherein P is P0, heterocyclyl or heterocyclyl substituted by one to five Z; Y1, Y2, Y3 and Y4 are independently of each other C-H, C-R5, or nitrogen; G1 is oxygen or sulfur; X4 is C1-C8haloalkyl; R4 is aryl or aryl substituted by one to five R9, or heteroaryl or heteroaryl substituted by one to five R9; and R1, R2, R4, R5, R9 and Z are as defined in the claims. The invention also provides compositions comprising the compounds of formula(I), intermediates useful in the preparation of compoudns of formula (I) and methods of using the compounds of formula (I) to control insects, acarines, nematodes or molluscs.

  本发明提供了式 (I) 的化合物 其中 P 是 P0、杂环基或被 1 至 5 个 Z 取代的杂环基； Y1、Y2、Y3 和 Y4 相互独立地为 C-H、C-R5 或氮； G1 是氧或硫； X4 是 C1-C8 卤代烷基； R4 是芳基或被 1 至 5 个 R9 取代的芳基，或杂芳基或被 1 至 5 个 R9 取代的杂芳基；以及 R1、R2、R4、R5、R9 和 Z 如权利要求书中所定义。 本发明还提供了由式(I)化合物组成的组合物、用于制备式(I)化合物的中间体以及使用式(I)化合物控制昆虫、螨类、线虫或软体动物的方法。
• Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders
  申请人：BioElectron Technology Corporation

  公开号：US10189830B2

  公开（公告）日：2019-01-29

  Disclosed herein are alkyl-heteroaryl substituted quinone derivative compounds and methods of using such compounds for treating or suppressing oxidative stress disorders, including mitochondrial disorders, impaired energy processing disorders, neurodegenerative diseases and diseases of aging.

  本文公开了烷基-杂芳基取代的醌衍生物化合物以及使用此类化合物治疗或抑制氧化应激紊乱（包括线粒体紊乱、能量处理受损紊乱、神经退行性疾病和衰老疾病）的方法。
• Diaminopyrimidine benzenesulfone derivatives and uses thereof
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10730860B2

  公开（公告）日：2020-08-04

  The present invention provides compounds of Formula (II) (e.g., compounds of Formula (I)), and pharmaceutically compositions thereof. Compounds of Formula (II) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.

  本发明提供了式(II)化合物（如式(I)化合物）及其药用组合物。据信，式（II）化合物是溴结构域和/或含溴结构域蛋白质（如溴外末端（BET）蛋白质）的结合剂。还提供了使用这些化合物和药物组合物的方法、用途和试剂盒，这些化合物和药物组合物用于抑制溴基链和/或含溴基链蛋白的活性（如活性增加），并用于治疗和/或预防受试者与溴基链或含溴基链蛋白相关的疾病（如增殖性疾病、心血管疾病、病毒感染、纤维化疾病、代谢性疾病、内分泌疾病和辐射中毒）。这些化合物、药物组合物和试剂盒还可用于男性避孕。