1-氨基-4-苯基-2-丁酮 | 46119-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氨基-4-苯基-2-丁酮
• 英文名称: 1-amino-4-phenyl-butan-2-one
• 英文别名: 1-Amino-4-phenyl-butan-2-on；1-Amino-4-phenyl-2-butanon；1-Amino-4-phenylbutan-2-one
• CAS: 46119-97-5
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: WGOUFXUXJZZIIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氨基-4-苯基-2-丁酮 在 三乙基硅烷 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (R)-N-(3-amino-3-oxo-1-(5-phenethyl-1H-imidazol-2-yl)propyl)octanamide
  参考文献：
  名称：

  [EN] ASPARAGINE DERIVATIVES AND METHODS OF USING SAME
  [FR] DÉRIVÉS D'ASPARAGINE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本公开涉及式（A）和（I）的化合物，其药学上可接受的盐，以及任何上述化合物的溶剂化合物，包括相同的药物组合物，制备相同的方法，用于制备相同的中间化合物，以及使用相同的方法治疗或预防疾病，特别是癌症，如结直肠癌。

  公开号：

  WO2021252640A1
• 作为产物：
  描述：

  N-(2-oxo-4-phenyl-butyl)-phthalamic acid 在 盐酸 作用下， 生成 1-氨基-4-苯基-2-丁酮
  参考文献：
  名称：

  尝试乙内酰脲合成过程中形成吡咯。

  摘要：

  DOI：

  10.1021/ja01199a028

文献信息

• Peptides for Treatment of Obesity
  申请人：Conde-Frieboes Kilian Waldemar

  公开号：US20130012432A1

  公开（公告）日：2013-01-10

  The present invention relates to novel peptide compounds which are effective in modulating one or more melanocortin receptor types, to the use of the compounds in therapy, to methods of treatment comprising administration of the compounds to patients in need thereof, and to the use of the compounds in the manufacture of medicaments. The compounds of the invention are of particular interest in relation to the treatment of obesity as well as a variety of diseases or conditions associated with obesity.

  本发明涉及一种新型肽化合物，其有效调节一个或多个黑色素皮质素受体类型，以及该类化合物在治疗中的应用，包括通过将该类化合物用于需要的患者进行治疗的方法，以及该类化合物在制造药物中的应用。本发明的化合物在治疗肥胖以及与肥胖相关的各种疾病或症状方面具有特别的兴趣。
• Benzopyran Compound
  申请人：Tsukagoshi Toru

  公开号：US20070299130A1

  公开（公告）日：2007-12-27

  This invention relates to benzopyran compounds of formula (I) wherein X is NR 6 , Y is a bond, SO or SO 2 , Z is C 1-4 alkyl group or phenyl group, W is hydrogen atom, hydroxy group, C 1-6 alkoxy group, a halogen atom, C 1-4 alkyl group or C 1-6 alkylsulfonylamino group, R 1 and R 2 are independently of each other C 1-3 alkyl group, R 3 is hydrogen atom, hydroxy group or methoxy group, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 4 is hydrogen atom or C 1-6 alkyl group, R 5 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, C 6-14 aryl group or C 2-9 heteroaryl group. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）的苯并吡喃化合物，其中X为NR6，Y为键，SO或SO2，Z为C1-4烷基或苯基，W为氢原子，羟基，C1-6烷氧基，卤素原子，C1-4烷基或C1-6烷基磺酰氨基，R1和R2分别为C1-3烷基，R3为氢原子，羟基或甲氧基，m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2，R4为氢原子或C1-6烷基，R5为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，C6-14芳基或C2-9杂芳基。这些化合物可用作抗心律失常剂。
• Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents
  申请人：Ohrai Kazuhiko

  公开号：US20080004262A1

  公开（公告）日：2008-01-03

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）或（II）的苯并吡喃衍生物，或其药学上可接受的盐，其中R1和R2独立地为氢原子，C1-6烷基或C6-14芳基；R3为氢原子或C1-6烷基羰氧基，或与R4一起形成键；R4为氢原子，或与R3一起形成键；m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2；R5为氢原子或C1-6烷基，R6为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基；A为与苯环融合的5、6或7元环，作为环的组成原子，其中单独或组合存在1至3个氧原子、氮原子或硫原子，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• Tricyclic benzopyrane compound
  申请人：Ohrai Kazuhiko

  公开号：US20100069374A1

  公开（公告）日：2010-03-18

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喃衍生物或其药学上可接受的盐， 其中R1和R2独立地是氢原子，C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，双C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，其中含有1到3个氧原子，氮原子或硫原子，或其组合，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常剂。
• INHIBITORS OF STAT3 AND USES THEREOF
  申请人：McMurray John S.

  公开号：US20120035114A1

  公开（公告）日：2012-02-09

  Compounds which inhibit the activity of signal transducer and activator of transcription 3 (STAT3) are provided together with methods of making and using the same. The compounds are designed to bind to the SH2 domain of STAT3, preventing STAT3 from binding to receptors for interleukin-6 family cytokines, growth factors such as the platelet-derived growth factor, the epidermal growth factor, vascular endothelial growth factor, and other signaling molecules such as leptin. Blocking these interactions prevents STAT3 from being phosphorylated on Tyr705, which is required for the dimerization of STAT3, translocation to the nucleus, binding to STAT3 response elements on promotors, and transcription of genes. In addition to these activities, binding to the SH2 domain of STAT3 breaks up pre-formed dimmers, thereby preventing the transcriptional activity of the inhibitor.

  本发明提供了抑制信号转导与激活转录因子3 (STAT3) 活性的化合物，以及制备和使用这些化合物的方法。这些化合物被设计成结合STAT3的SH2结构域，防止STAT3与白细胞介素6家族细胞因子、血小板源性生长因子、表皮生长因子、血管内皮生长因子等生长因子和瘦素等信号分子的受体结合。阻断这些相互作用可防止STAT3在Tyr705位点磷酸化，这是STAT3二聚化、向细胞核转位、结合启动子上的STAT3响应元件和基因转录所必需的。除了这些作用，结合STAT3的SH2结构域还可以分解已形成的二聚体，从而防止抑制剂的转录活性。