6-acetamido-2,3-diidro-1H-indene-1-one | 85515-20-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 6-acetamido-2,3-diidro-1H-indene-1-one
• 英文别名: N-(3-oxo-2,3-dihydro-1H-inden-5-yl)acetamide；5-Acetamido-indanon-(1)；N-(3-oxo-indan-5-yl)-acetamide；N-(3-Oxo-indan-5-yl)-acetamid；6-Acetamino-hydrindon-(1)；6-acetylaminoindanone；N-(3-oxo-1,2-dihydroinden-5-yl)acetamide
• CAS: 85515-20-4
• 化学式: C₁₁H₁₁NO₂
• mdl: MFCD18647703
• 分子量: 189.214
• InChiKey: AZXCAZDYBUNSRH-UHFFFAOYSA-N

物化性质

• 沸点：
  414.5±34.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-acetamido-2,3-diidro-1H-indene-1-one 在 盐酸 、 sodium hydroxide 、 甲烷 作用下， 以 水 为溶剂， 反应 1.0h， 生成 6-氨基-1-茚酮
  参考文献：
  名称：

  [EN] INDANYLAMINO URACILS AND THEIR USE AS ANTIOXIDANTS AND NEUROPROTECTANTS
  [FR] URACILES INDANYLAMINO ET LEUR UTILISATION EN TANT QU'AGENTS ANTIOXYDANTS ET NEUROPROTECTEURS

  摘要：

  公开号：

  WO2006020070A3
• 作为产物：
  描述：

  6-硝基-1-茚满酮 在 铁粉 、 氯化铵 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 水 为溶剂， 生成 6-acetamido-2,3-diidro-1H-indene-1-one
  参考文献：
  名称：

  Constrained 7-fluorocarboxychromone-4-aminopiperidine based Melanin-concentrating hormone receptor 1 antagonists: The effects of chirality on substituted indan-1-ylamines

  摘要：

  The incorporation of constrained tertiary amines into an existing class of N-benzyl-4-aminopiperidinyl chromone-based MCHrl antagonists led to the identification of a series of chiral racemic compounds that displayed good to excellent functional potency, binding affinity, and selectivity over the hERG channel. Further separation of two distinct chiral racemic compounds into their corresponding pairs of enantiomers revealed a considerable selectivity for MCHr1 for one configuration, in addition to a striking difference in oral exposure between one pair of enantiomers in diet-induced obese mice. Oral administration of the most potent compound in this class in the same animal model led to significant reduction of fat mass in a semi-chronic model for weight loss. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.061

文献信息

• Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor
  申请人：Lynch K. John

  公开号：US20050209274A1

  公开（公告）日：2005-09-22

  The present invention is directed to compounds of formula (I), which antagonize of the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor which is useful for the prevention or treatment of eating disorders, weight gain, obesity, abnormalities in reproduction and sexual behavior, thyroid hormone secretion, diuresis and water/electrolyte homeostasis, sensory processing, memory, sleeping, arousal, anxiety, depression, seizures, neurodegeneration and psychiatric disorders.

  本发明涉及式(I)的化合物，通过对抗黑素浓集激素（MCH）的作用，通过对抗黑素浓集激素受体，有助于预防或治疗进食障碍、体重增加、肥胖、生殖和性行为异常、甲状腺激素分泌、利尿和水/电解质稳态、感觉处理、记忆、睡眠、觉醒、焦虑、抑郁、癫痫、神经退行性疾病和精神障碍。
• Design, synthesis and biological evaluation of indanone–chalcone hybrids as potent and selective hCES2A inhibitors
  作者：Peng-Chao Huo、Xiao-Qing Guan、Peng Liu、Yun-Qing Song、Meng-Ru Sun、Rong-Jing He、Li-Wei Zou、Li-Juan Xue、Jin-Hui Shi、Nan Zhang、Zhi-Guo Liu、Guang-Bo Ge

  DOI：10.1016/j.ejmech.2020.112856

  日期：2021.1

  ester-bearing drugs. Accumulating evidence has indicated that hCES2A inhibitor therapy can modulate the pharmacokinetic and toxicological profiles of some important hCES2A-substrate drugs, such as the anticancer agent CPT-11. Herein, a series of indanone–chalcone hybrids are designed and synthesized to find potent and highly selective hCES2A inhibitors. Inhibition assays demonstrated that most indanone–chalcone

  人羧酸酯酶2（hCES2A）是分布在小肠中的主要丝氨酸水解酶之一，在含酯药物的水解中起关键作用。越来越多的证据表明，hCES2A抑制剂疗法可以调节某些重要的hCES2A底物药物（例如抗癌药CPT-11）的药代动力学和毒理学特征。本文设计并合成了一系列茚满酮-查耳酮杂化物，以发现有效且高度选择性的hCES2A抑制剂。抑制分析表明，大多数茚满酮-查耳酮杂种均表现出强至中等的hCES2A抑制活性。结构-hCES2A抑制活性关系研究表明，在C4'位引入羟基和在C6位引入N-烷基对于hCES2A抑制是有益的。尤其，B7（N-烷基化的1-茚满酮-查尔酮杂化物）对hCES2A表现出最强的抑制作用，并具有出色的特异性（该试剂不能抑制其他人类酯酶，包括hCES1A和丁酰胆碱酯酶）。抑制动力学分析表明，B7以混合抑制方式有效抑制hCES2A介导的FD水解。K i值为0.068μM。此外，B7能够抑制活细胞中的
• Indanylamino uracils and their use as antioxidants and neuroprotectants
  申请人：Sklarz Benjamin

  公开号：US20070021450A1

  公开（公告）日：2007-01-25

  Disclosed are compounds having the structure: wherein, R 1 is H, NH 2 , NH—(C 1 -C 4 )alkyl, or N—[(C 1 -C 4 )alkyl] 2 ; R 2 and R 3 are each independently H, (C 1 -C 4 )alkyl, or wherein R 4 is H, (C 1 -C 4 )alkyl, halogen, hydroxy, (C 1 -C 10 )alkoxy, cyano, nitro, —NR 5 R 6 , or —OCONR 7 R 8 ; wherein R 5 and R 6 are each independently H, or a substituted or unsubstituted (C 1 -C 4 )alkyl; and wherein R 7 and R 8 are each independently H, or substituted or unsubstituted (C 1 -C 4 )alkyl, or (C 1 -C 10 )aryl; and wherein only one of R 2 and R 3 is H, enantiomers, tautomers, and pharmaceutically acceptable salts of the compounds, pharmaceutical compositions containing such compounds or salts, and processes for their preparation. The subject invention also provides methods of alleviating symptoms of neurologic and inflammatory disorders, methods of preventing oxidation of lipids, proteins, or deoxyribonucleic acids on a cellular level, and methods of protecting human red blood cells from lysis by O 2 radicals.

  本发明涉及具有以下结构的化合物：其中，R1为H，NH2，NH-（C1-C4）烷基或N-[(C1-C4)烷基]2；R2和R3各自独立地为H，（C1-C4）烷基或其中R4为H，（C1-C4）烷基，卤素，羟基，（C1-C10）烷氧基，氰基，硝基，-NR5R6或-OCONR7R8；其中R5和R6各自独立地为H或取代或未取代的（C1-C4）烷基；而R7和R8各自独立地为H或取代或未取代的（C1-C4）烷基或（C1-C10）芳基；其中仅有R2和R3中的一个为H。本发明还涉及这些化合物的对映体、互变异构体和药学上可接受的盐，含有这些化合物或盐的制药组合物以及其制备方法。本发明还提供了缓解神经和炎症性疾病症状的方法，防止脂质、蛋白质或脱氧核糖核酸在细胞水平上被氧化的方法，以及保护人类红细胞免受O2自由基溶解的方法。
• METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS
  申请人：Transfusion Health, LLC

  公开号：US20220315895A1

  公开（公告）日：2022-10-06

  This disclosure is directed to, inter alia, methods and systems for preparing oligopotent and unipotent progenitor cells of defined lineages in culture from an expanded source of CD34+ cells, media for making the same, and therapeutic compounds and compositions comprising the same for treatment a variety of diseases included, but not limited to, hematologic disorders, immune diseases, cancers, and infectious diseases.

  本公开涉及的是从扩增的CD34+细胞来源中在培养中准备定义谱系的寡能和单能祖细胞的方法和系统，用于制备相应的培养基，以及包含相应的治疗化合物和组合物，用于治疗各种疾病，包括但不限于血液学疾病、免疫性疾病、癌症和传染性疾病。
• Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them
  申请人：BOEHRINGER MANNHEIM ITALIA S.P.A.

  公开号：EP0169443A2

  公开（公告）日：1986-01-29

  The tricyclic dihydropyridazinone derivatives having formula I are endowed with interesting hypotensive, vasodilating, antiaggregant, antithrombotic and cytoprotective properties and are therefore useful in human or veterinary medicine.

  三环二氢哒嗪酮衍生物具有式 I 的三环二氢哒嗪酮衍生物具有有趣的降血压、血管扩张、抗聚集、抗血栓和细胞保护特性，因此可用于人类或兽医领域。