t-Pentylisocyanat | 1612-71-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: t-Pentylisocyanat
• 英文别名: α,α-Dimethyl-propylisocyanat；tert-amyl isocyanate；2-Isocyanato-2-methylbutane
• CAS: 1612-71-1
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: XTCXPTOMXXOPLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  t-Pentylisocyanat 在 氯化亚砜 作用下， 以 吡啶 为溶剂， 生成 2-(2-Chloro-phenyl)-6-(1,1-dimethyl-propyl)-4-methyl-1-oxo-1λ⁴-[1,2,4,6]thiatriazinane-3,5-dione
  参考文献：
  名称：

  Sanemitsu, Yuzuru; Shiroshita, Masao; Maeda, Kiyoto, Agricultural and Biological Chemistry, 1987, vol. 51, # 11, p. 3173 - 3176

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基丁酸 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 t-Pentylisocyanat
  参考文献：
  名称：

  Novel Partial Agonists for the Histamine H₃ Receptor with High in Vitro and in Vivo Activity

  摘要：

  Novel branched N-alkylcarbamates and aliphatic ethers derived from 3-( 1H-imidazol-4-yl)propanol were prepared. The compounds were investigated on two functional histamine H(3)- receptor assays. Some compounds displayed partial agonist activity on synaptosomes of rat brain cortex but behaved as pure competitive antagonists on the guinea pig ileum. Under in vivo conditions after po application to mice, some of the compounds showed partial or full agonist activity. Highest in vivo potency was found for the 3,3-dimethylbutyl ether 10 (ED(50) = 0.29 mg/kg, full intrinsic activity). These novel agonists are structurally diverse from classical aminergic histamine H(3)-receptor agonists (e.g., (R)-alpha-methylhistamine, imetit) as they lack a basic moiety in the side chain, which is supposed to be important for the activation of the receptor protein. The selectivity for the histamine H(3) receptor was proven by determination of H(1)- and H(2)-receptor activity on functional assays of the guinea pig.

  DOI：

  10.1021/jm991068w

文献信息

• Hypoglycaemic agents
  作者：D F Hayman、V Petrow、O Stephenson

  DOI：10.1111/j.2042-7158.1964.tb07510.x

  日期：2011.4.12

  Various 3-substituted derivatives of 1-(p-vinylbenzenesulphonyl)urea, 1-[p-(2-chloroethyl)benzenesulphonyl]urea and 1-[p-(2-bromoethyl)benzenesulphonyl]urea are described. Several of the compounds possess noteworthy hypoglycaemic activity on oral administration in rabbits. In contrast, several related 5-substituted derivatives of 2-[p-(2-chloroethyl)benzenesulphonamido]-1,3,4-thiadiazoles and -1,3,4-oxadiazoles were virtually inactive.

  标题：摘要 描述了1-(对乙烯基苯磺酰基)脲、1-[对-(2-氯乙基)苯磺酰基]脲和1-[对-(2-溴乙基)苯磺酰基]脲的各种3-取代衍生物。其中几种化合物在兔子口服后表现出显著的降糖活性。相比之下，几种相关的2-[对-(2-氯乙基)苯磺酰胺基]-1,3,4-噻二唑和-1,3,4-噁二唑的5-取代衍生物几乎没有活性。
• Herbicidal and fungicidal substituted triazolinones
  申请人：Bayer Aktiengesellschaft

  公开号：US05516749A1

  公开（公告）日：1996-05-14

  Herbicidal and fungicidal substituted triazolinones of the formula ##STR1## in which R.sup.1 represents hydrogen, alkyl alkenyl, alkinyl, halogenoalkyl, halogenoalkenyl, halogenoalkinyl, alkoxyalkyl, cycloalkyl or cycloalkylalkyl, of represents tetrahydrofuranyl or tetrahydrofuranylalkyl, or represents in each case optionally substituted aralkyl or aryl, R.sup.2 represents hydrogen, alkyl, alkenyl, alkinyl, halogenoalkyl, halogenoalkenyl, halogenoalkinyl, cyanoalkyl, hydroxyalkyl, alkoxyalkyl, aryloxyalkyl, alkoxycarbonylalkyl, alkoxycarbonylalkenyl, alkylaminoalkyl or dialkylaminoalkyl, or represents in each case optionally substituted cyclocalkyl, cycloalkylalkyl, cycloalkenyl or cycloalkenylalkyl, or represents optionally substituted heterocyclyalkyl, or represents in each case optionally substituted aralkyl, aroyl, aryl, aralkyloxy or aryloxy, or represents alkoxy, alkenyloxy or alkinyloxy, R.sup.3 represents alkyl, alkenyl, alkinyl, halogenoalkyl, halogenoalkenyl, halogenoalkinyl, cyanoalkyl, alkoxyalkyl or alkylthioalkyl, or represents in each case optionally substituted cycloalkyl, cycloalkylalkyl, aryl or aralkyl, X represents oxygen or sulphur and Y represents oxygen or sulphur, and new intermediates.

  式子为##STR1##的除草和杀菌取代的三唑啉酮，在该式中R.sup.1表示氢、烷基、烯基、炔基、卤代烷基、卤代烯基、卤代炔基、烷氧基烷基、环烷基或环烷基烷基，或表示每种情况下可选择取代的芳基烷基或芳基，R.sup.2表示氢、烷基、烯基、炔基、卤代烷基、卤代烯基、卤代炔基、氰基烷基、羟基烷基、烷氧基烷基、芳氧基烷基、烷氧羰基烷基、烷氧羰基烯基、烷基氨基烷基或二烷基氨基烷基，或表示每种情况下可选择取代的环烷基、环烷基烷基、环烯基或环烯基烷基，或表示可选择取代的杂环烷基，或表示每种情况下可选择取代的芳基烷基、芳基酰基、芳基、芳基氧烷基或芳氧基，或表示烷氧基、烯氧基或炔氧基，R.sup.3表示烷基、烯基、炔基、卤代烷基、卤代烯基、卤代炔基、氰基烷基、烷氧基烷基或烷硫基烷基，或表示每种情况下可选择取代的环烷基、环烷基烷基、芳基或芳基烷基，X表示氧或硫，Y表示氧或硫，以及新的中间体。
• SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Mjalli Adnan M.M.

  公开号：US20110160198A1

  公开（公告）日：2011-06-30

  The present invention is directed to substituted azoanthracene derivatives or pharmaceutically acceptable salts thereof that modulate the human GLP-1 receptor and that may be useful in the treatment of diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial, such as diabetes mellitus type 2. The invention is also directed to pharmaceutical compositions comprising these compounds and to the use of these compounds and compositions in the treatment of such diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial.

  本发明涉及替代的偶氮蒽衍生物或其药学上可接受的盐，其调节人类GLP-1受体，并可用于治疗调节人类GLP-1受体有益的疾病、紊乱或病症，如2型糖尿病。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在治疗调节人类GLP-1受体有益的这些疾病、紊乱或病症中的使用。
• Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof
  申请人：Mjalli Adnan M. M.

  公开号：US08383644B2

  公开（公告）日：2013-02-26

  The present invention is directed to substituted azoanthracene derivatives or pharmaceutically acceptable salts thereof that modulate the human GLP-1 receptor and that may be useful in the treatment of diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial, such as diabetes mellitus type 2. The invention is also directed to pharmaceutical compositions comprising these compounds and to the use of these compounds and compositions in the treatment of such diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial.

  本发明涉及取代的偶氮蒽衍生物或其药学上可接受的盐，其调节人类GLP-1受体，并可在治疗调节人类GLP-1受体有益的疾病、疾病、或病情，如2型糖尿病。本发明还涉及包含这些化合物的制药组合物，以及在治疗这些有益的疾病、疾病或病情中使用这些化合物和组合物。
• Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof
  申请人：TransTech Pharma, Inc

  公开号：US20130096150A1

  公开（公告）日：2013-04-18

  The present invention is directed to substituted azoanthracene derivatives or pharmaceutically acceptable salts thereof that modulate the human GLP-1 receptor and that may be useful in the treatment of diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial, such as diabetes mellitus type 2. The invention is also directed to pharmaceutical compositions comprising these compounds and to the use of these compounds and compositions in the treatment of such diseases, disorders, or conditions in which modulation of the human GLP-1 receptor is beneficial.

  本发明涉及取代的偶氮蒽衍生物或其药学上可接受的盐，其调节人类GLP-1受体并可用于治疗调节人类GLP-1受体有益的疾病、疾病或病状，例如2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及将这些化合物和组合物用于治疗这些有益的疾病、疾病或病状的用途。