7-甲氧基色满-3-羧酸 | 3187-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 7-甲氧基色满-3-羧酸
• 中文别名: 7-甲氧基苯并四氢吡喃-3-甲酸；3,4-二氢-7-甲氧基-2H-苯并吡喃-3-甲酸
• 英文名称: 7-methoxychromane-3-carboxylic acid
• 英文别名: 7-methoxy-chroman-3-carboxylic acid；7-Methoxy-chroman-3-carbonsaeure；7-methoxychroman-3-carboxylic Acid；7-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
• CAS: 3187-51-7
• 化学式: C₁₁H₁₂O₄
• mdl: MFCD00598395
• 分子量: 208.214
• InChiKey: SVDWMRTZSYORGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  7-甲氧基色满-3-羧酸 、 甲氧苯醌 在 碘苯二乙酸 作用下， 以 苯 为溶剂， 反应 36.0h， 以84%的产率得到2-(3,4-dihydro-7-methoxybenzopyran-3-yl)-5-methoxy-1,4-benzoquinone
  参考文献：
  名称：

  A direct route to isoflavan quinones. The synthesis of colutequinones A and B

  摘要：

  The first syntheses of colutequinone A and colutequinone B were achieved. Radical generation via phenyliodoso diacetate was superior to radical generation via ammonium persulfate. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.08.015
• 作为产物：
  描述：

  7-甲氧基-2H-苯并吡喃-3-羧酸 在 palladium on activated charcoal 、 乙醇 作用下， 生成 7-甲氧基色满-3-羧酸
  参考文献：
  名称：

  McGookin et al., Journal of the Chemical Society, 1940, p. 787,791

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA TUBERCULOSE RÉSISTANTE AUX MÉDICAMENTS ET PERSISTANTE
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2014190199A1

  公开（公告）日：2014-11-27

  Described herein are compounds and compositions for treating drug resistant and persistent tuberculosis. Also described herein is a method of screening for identifiying biofilm formation inhibitors.

  本文描述了用于治疗耐药和持续结核病的化合物和组合物。本文还描述了一种筛选生物膜形成抑制剂的方法。
• BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110052562A1

  公开（公告）日：2011-03-03

  Compounds useful as Rho kinase inhibitors according to formula IA or IB: wherein A, B, D, E, R 1 , R 2 and Ar 1 are as defined herein, and any tautomer, salt, stereoisomer, hydrate, solvent, or prodrug thereof, pharmaceutical compositions, methods of treatment, and synthetic methods are provided.

  提供公式IA或IB所示的有用的Rho激酶抑制剂化合物：其中A、B、D、E、R1、R2和Ar1的定义如本文所述，并提供任何互变异构体、盐、立体异构体、水合物、溶剂或前药，以及制药组合物、治疗方法和合成方法。
• Chalcones and Chalcone-mimetic Derivatives as Notch Inhibitors in a Model of T-cell Acute Lymphoblastic Leukemia
  作者：Deborah Quaglio、Nadezda Zhdanovskaya、Gloria Tobajas、Viviana Cuartas、Silvia Balducci、Michael S. Christodoulou、Giancarlo Fabrizi、Marta Gargantilla、Eva-María Priego、Álvaro Carmona Pestaña、Daniele Passarella、Isabella Screpanti、Bruno Botta、Rocco Palermo、Mattia Mori、Francesca Ghirga、María-Jesús Pérez-Pérez

  DOI：10.1021/acsmedchemlett.8b00608

  日期：2019.4.11

  Based on hit-likeness and chemical diversity, a number of chalcones and chalcone-mimetic compounds were selected as putative Notch inhibitors. The evaluation of the antiproliferative effect combined with the inhibition of Notchl expression in KOPTK1 cell line identified compound 18, featuring a tetrahydronaphthalene-based scaffold, as a new promising Notch-blocking agent.
• The development of benzimidazoles as selective rho kinase inhibitors
  作者：E. Hampton Sessions、Michael Smolinski、Bo Wang、Bozena Frackowiak、Sarwat Chowdhury、Yan Yin、Yen Ting Chen、Claudia Ruiz、Li Lin、Jennifer Pocas、Thomas Schröter、Michael D. Cameron、Philip LoGrasso、Yangbo Feng、Thomas D. Bannister

  DOI：10.1016/j.bmcl.2010.01.124

  日期：2010.3

  Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 < 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA). (C) 2010 Elsevier Ltd. All rights reserved.
• COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS
  申请人：THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH

  公开号：US20160194299A1

  公开（公告）日：2016-07-07

  Described herein are compounds and compositions for treating drug resistant and persistent tuberculosis. Also described herein is a method of screening for identifying biofilm formation inhibitors.