2-[9-(3,4,5-三甲氧苯基)-5-硫杂-1,2,7,8-四氮杂二环[4.3.0]壬-2,6,8-三烯-3-基]乙酸 | 126857-76-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-[9-(3,4,5-三甲氧苯基)-5-硫杂-1,2,7,8-四氮杂二环[4.3.0]壬-2,6,8-三烯-3-基]乙酸
• 英文名称: Acetamide, N-9-acridinyl-2-bromo-
• 英文别名: N-acridin-9-yl-2-bromoacetamide
• CAS: 126857-76-9
• 化学式: C₁₅H₁₁BrN₂O
• 分子量: 315.16
• InChiKey: HRHWEPUNQVXJDL-UHFFFAOYSA-N

物化性质

• 沸点：
  555.0±25.0 °C(Predicted)
• 密度：
  1.598±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S)-3-[(2S,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2R,3R)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid 、 2-[9-(3,4,5-三甲氧苯基)-5-硫杂-1,2,7,8-四氮杂二环[4.3.0]壬-2,6,8-三烯-3-基]乙酸 以0%的产率得到
  参考文献：
  名称：

  Pleasance S., Quilliam M. A., Marr J. C., Rapid Commun. Mass. Spectrom., 6 (1992) N 2, S 121-127

  摘要：

  DOI：

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR
  申请人：Kao Corporation

  公开号：EP1553411A1

  公开（公告）日：2005-07-13

  An indicator material for assessing body odor of the present invention comprises at least one member selected from the group consisting of a substance (A) which is a β-hydroxycarboxylic acid compound represented by the formula (1), a substance (B) which is a derivative of the compound represented by the formula (1), a substance (C) which is an alcohol compound having a mercapto group at the 3-position represented by the formula (2),and a substance (D) which is a derivative of the compound represented by the formula (2). The present invention also provides a method of producing the compound represented by the formula (2) by incubating perspiration originated from a human in an environment with an oxygen concentration of 10 v/v% or less. The present invention also provides a kit for assessing body odor of a human, wherein the kit for assessing body odor of a human includes a coloration reagent which reacts with β-hydroxycarboxylic acid originated from perspiration of a human. wherein R1 is an alkyl having 1 to 4 carbons; R2 is a hydrogen atom or an alkyl having 1 to 4 carbons, and the total number of carbons in the formula (1) is 10 or less; wherein R3 is a hydrogen atom or methyl group; R4 is an alkyl group having 1 to 3 carbons; and R5 is a hydrogen atom or a methyl group, the total number of carbons is 8 or less.

  本发明的一种用于评估体味的指示剂材料包括至少一种选自以下组成的成员：一种物质（A），它是β-羟基羧酸化合物，由式（1）表示；一种物质（B），它是由式（1）表示的化合物的衍生物；一种物质（C），它是由式（2）表示的在3-位上具有巯基的醇化合物；以及一种物质（D），它是由式（2）表示的化合物的衍生物。本发明还提供了一种通过在氧气浓度为 10 v/v% 或更低的环境中培养人的汗液来生产式（2）所代表的化合物的方法。本发明还提供了一种用于评估人的体味的试剂盒，其中用于评估人的体味的试剂盒包括一种与源自人的汗液的β-羟基羧酸反应的着色试剂。 其中 R1 是具有 1 至 4 个碳原子的烷基；R2 是氢原子或具有 1 至 4 个碳原子的烷基，且式（1）中的碳原子总数为 10 或更少； 其中 R3 是氢原子或甲基；R4 是具有 1 至 3 个碳原子的烷基；R5 是氢原子或甲基，碳原子总数为 8 或更少。
• Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor
  申请人：Hasegawa Yoshihiro

  公开号：US20060160240A1

  公开（公告）日：2006-07-20

  An indicator material for assessing body odor of the present invention comprises at least one member selected from the group consisting of a substance (A) which is a β-hydroxycarboxylic acid compound represented by the formula (1), a substance (B) which is a derivative of the compound represented by the formula (1), a substance (C) which is an alcohol compound having a mercapto group at the 3-position represented by the formula (2),and a substance (D) which is a derivative of the compound represented by the formula (2). The present invention also provides a method of producing the compound represented by the formula (2) by incubating perspiration originated from a human in an environment with an oxygen concentration of 10 v/v % or less. The present invention also provides a kit for assessing body odor of a human, wherein the kit for assessing body odor of a human includes a coloration reagent which reacts with β-hydroxycarboxylic acid originated from perspiration of a human.

  本发明的一种用于评估体味的指示剂材料包括至少一种选自以下组成的成员：一种物质（A），它是β-羟基羧酸化合物，由式（1）表示；一种物质（B），它是由式（1）表示的化合物的衍生物；一种物质（C），它是由式（2）表示的在3-位上具有巯基的醇化合物；以及一种物质（D），它是由式（2）表示的化合物的衍生物。本发明还提供了一种通过在氧气浓度为 10 v/v % 或更低的环境中培养人的汗液来生产式（2）所代表的化合物的方法。本发明还提供了一种用于评估人的体味的试剂盒，其中用于评估人的体味的试剂盒包括一种着色试剂，该试剂与源自人的汗液的β-羟基羧酸反应。
• Pleasance S., Quilliam M. A., Marr J. C., Rapid Commun. Mass. Spectrom., 6 (1992) N 2, S 121-127
  作者：Pleasance S., Quilliam M. A., Marr J. C.

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS
  申请人：The Sun Products Corporation

  公开号：EP2601048A2

  公开（公告）日：2013-06-12