N-(4-oxochroman-7-yl)acetamide | 125068-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(4-oxochroman-7-yl)acetamide
• 英文别名: N-(4-oxo-3,4-dihydro-2H-chromen-7-yl)acetamide；7-acetamidochroman-4-one；N-(3,4-Dihydro-4-oxo-2H-1-benzopyran-7-yl)acetamide；N-(4-oxo-2,3-dihydrochromen-7-yl)acetamide
• CAS: 125068-92-0
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: IGPPDMDPMMPBTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-oxochroman-7-yl)acetamide 在 盐酸 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 ethylene dichloride hydrochloride 、 1-羟基苯并三唑 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 32.0h， 生成 4'-fluoro-N-[3-(1-pyrrolidinylmethyl)-2H-chromen-7-yl]biphenyl-4-carboxamide
  参考文献：
  名称：

  Melanin-Concentrating Hormone Receptor 1 Antagonists. Synthesis and Structure–Activity Relationships of Novel 3-(Aminomethyl)quinolines

  摘要：

  It was found that 3-(aminomethyl)quinoline derivatives showed high binding affinities for melanin-concentrating hormone receptor 1 (MCHR1) with reduced affinity for serotonin receptor 2c (5-HT2c) when the dihydronaphthalene nucleus of compound 1 (human MCHR1, IC50 = 1.9 nM; human 5-HT2c receptor, IC50 = 0.53 nM) was replaced by other bicyclic core scaffolds. Among the synthesized compounds, 8-methylquinoline derivative 5v especially showed high binding affinity (IC50 = 0.54 nM), potent in vitro antagonistic activity (IC50 = 2.8 nM) for MCHR1, and negligible affinity for 5-HT2c receptor (IC50 > 1000 nM). Oral administration of 5v significantly and dose-dependently suppressed nocturnal food intake in diet-induced obese rats and did not affect food intake in MCHR1-deficient mice. These results and rat pharmacokinetic study findings suggested that compound 5v is a highly potent, orally bioavailable, and centrally acting nonpeptide MCHR1 antagonist.

  DOI：

  10.1021/jm201596h
• 作为产物：
  描述：

  N-(3-羟基苯基)乙酰胺 在 盐酸 、 氯化亚砜 、 苄基三甲基氢氧化铵 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 52.5h， 生成 N-(4-oxochroman-7-yl)acetamide
  参考文献：
  名称：

  [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF
  [FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION

  摘要：

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。

  公开号：

  WO2022006548A1

文献信息

• [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF<br/>[FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION
  申请人：BRIDGENE BIOSCIENCES INC

  公开号：WO2022006548A1

  公开（公告）日：2022-01-06

  Disclosed herein are synthesis and use of covalent inhibitors selective for Transcriptional Enhancer Factor TEF-1 (TEAD1), which can be used for treatment of cancers such as glioblastoma, gastric cancer, colorectal cancer, pancreatic ductal adenocarcinoma (PDAC), and malignant pleural mesothelioma (MPM). Further disclosed herein are pharmaceutical compositions including the TEAD1 inhibitor and methods of treating cancers using the same.

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。
• Pyridazinone derivatives
  申请人：Nippon Soda Co., Ltd.

  公开号：US05110925A1

  公开（公告）日：1992-05-05

  The present invention relates to a compound having the formula below which have an excellent cardiotonic action: ##STR1## wherein Y represents C.sub.1-4 alkylene which may be substituted by C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl, or ##STR2## where each r.sup.1 and r.sup.2 represents hydrogen, C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl); and R.sub.1 represents hydrogen, C.sub.1-5 alkyl which may be substituted by C.sub.1-5 alkoxy, acetyl or C.sub.2-5 alkenyl; and R.sub.2 represents hydrogen or methyl; and each R.sub.3 and R.sub.4 represents hydrogen, halogen, hydroxy, C.sub.1-5 alkyl, or C.sub.1-5 alkoxy; and R.sub.5 represents hydrogen or C.sub.1-5 alkyl which may be substituted by hydroxy; and R.sub.4 and R.sub.5 may form ring by joining each other; and represents single or double bond.

  本发明涉及一种具有下面式的化合物，具有优良的心力作用：##STR1## 其中，Y代表可能被C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基取代的C.sub.1-4烷基，或##STR2## 其中每个r.sup.1和r.sup.2代表氢，C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基）；以及R.sub.1代表氢，可能被C.sub.1-5烷氧基，乙酰基或C.sub.2-5烯基取代的C.sub.1-5烷基；R.sub.2代表氢或甲基；每个R.sub.3和R.sub.4代表氢，卤素，羟基，C.sub.1-5烷基或C.sub.1-5烷氧基；R.sub.5代表氢或可能被羟基取代的C.sub.1-5烷基；R.sub.4和R.sub.5可以通过彼此连接形成环；并且代表单键或双键。
• Melanin concentrating hormone antagonist
  申请人：Kato Kaneyoshi

  公开号：US20070173498A1

  公开（公告）日：2007-07-26

  A melanin-concentrating hormone antagonist which comprises a compound of the formula: wherein Ar 1 is a cyclic group which may have substituents; X is a spacer having a main chain of 1 to 6 atoms; Y is a bond or a spacer having a main chain of 1 to 6 atoms; Ar is a monocyclic aromatic ring which may be condensed with a 4 to 8 membered non-aromatic ring, and may have further substituents; R 1 and R 2 are independently hydrogen atom or a hydrocarbon group which may have substituents; R 1 and R 2 , together with the adjacent nitrogen atom, may form a nitrogen-containing hetero ring which may have substituents; R 2 may form a spiro ring together with Ar; or R 2 , together with the adjacent nitrogen atom and Y, may form a nitrogen-containing hetero ring which may have substituents; or a salt thereof; which is useful as an agent for preventing or treating obesity, etc.

  一种黑色素浓集激素拮抗剂，包括一个化合物，其化学式为：其中Ar1是一个环状基团，可能具有取代基；X是一个具有1到6个原子主链的间隔物；Y是一条键或具有1到6个原子主链的间隔物；Ar是一个单环芳香环，可以与一个4到8个成员的非芳香环融合，并且可能有进一步的取代基；R1和R2分别是氢原子或一个可能具有取代基的碳氢基团；R1和R2连同相邻的氮原子可以形成一个含氮杂环，该杂环可能具有取代基；R2可以与Ar一起形成一个螺环；或者R2连同相邻的氮原子和Y可以形成一个含氮杂环，该杂环可能具有取代基；或其盐；用作预防或治疗肥胖等的药剂。
• PYRIDAZINONE DERIVATIVES
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0357788A1

  公开（公告）日：1990-03-14
• EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS
  申请人：Bosmans Jean-Paul R.M.A.

  公开号：US20100280025A1

  公开（公告）日：2010-11-04

  The present invention is related to novel compounds of formula (I) having equilibrative nucleoside transporter ENT1 inhibiting properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases linked to the inhibition of ENT1 receptors in animals, in particular humans.