6-hydroxychromane-3-carboxylic acid | 942076-84-8

• 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: 6-hydroxychromane-3-carboxylic acid
• 英文别名: 6-hydroxy-2H-chromane-3-carboxylic acid；6-hydroxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid；6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid
• CAS: 942076-84-8
• 化学式: C₁₀H₁₀O₄
• 分子量: 194.187
• InChiKey: FMAXZGMMJCWXNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-hydroxychromane-3-carboxylic acid 在 potassium carbonate 、 1-丙基磷酸酐 、 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 66.0h， 生成 N-methoxy-N-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]chromane-3-carboxamide
  参考文献：
  名称：

  [EN] FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF
  [FR] INHIBITEURS DE RAF BICYCLIQUES FUSIONNÉS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2022023447A3
• 作为产物：
  描述：

  6-甲氧基苯并二氢吡喃-3-羧酸 在 三溴化硼 作用下， 生成 6-hydroxychromane-3-carboxylic acid
  参考文献：
  名称：

  Benzimidazole- and benzoxazole-based inhibitors of Rho kinase

  摘要：

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.095

文献信息

• [EN] FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS<br/>[FR] COMPOSÉS (HÉTÉRO)AROMATIQUES BICYCLIQUES CONDENSÉS UTILES POUR LE TRAITEMENT DE CANCERS
  申请人：REDX PHARMA PLC

  公开号：WO2016038389A1

  公开（公告）日：2016-03-17

  This invention relates to novel compounds. The compounds of the invention are kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Raf kinases, e.g. B-Raf and C-Raf. The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Raf kinases, for example cancer, sarcoma, melanoma, skin cancer, haematological tumors, lymphoma, carcinoma and leukemia.

  这项发明涉及新颖化合物。该发明的化合物是激酶抑制剂。具体来说，该发明的化合物可用作 Raf 激酶的抑制剂，例如 B-Raf 和 C-Raf。该发明还考虑了利用这些化合物治疗可通过抑制 Raf 激酶治疗的疾病，例如癌症、肉瘤、黑色素瘤、皮肤癌、血液肿瘤、淋巴瘤、癌瘤和白血病。
• [EN] CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS<br/>[FR] SYNTHÈSE CHIRALE D'INHIBITEURS DE RAF BICYCLIQUES FUSIONNÉS
  申请人：JAZZ PHARMACEUTICALS IRELAND LTD

  公开号：WO2022023450A1

  公开（公告）日：2022-02-03

  The present disclosure generally relates to improved synthesis of fused bicyclic Raf inhibitor enantiomers of formula (I), (Ia), (Ib), (II), (IIa), or (IIb), or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, with high enantiomeric excess (%ee). The disclosure also relates to method of using the compound of formula (I), (Ia), (Ib), (II), (IIa), or (IIb), or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, for treating diseases such as cancer, including colorectal cancer.

  本公开涉及改进合成式(I)、(Ia)、(Ib)、(II)、(IIa)或(IIb)的融合双环Raf抑制剂对映体，或其药学上可接受的盐、互变异构体或立体异构体，其具有高对映体过量百分比(%ee)。本公开还涉及使用式(I)、(Ia)、(Ib)、(II)、(IIa)或(IIb)的化合物，或其药学上可接受的盐、互变异构体或立体异构体，治疗癌症等疾病，包括结直肠癌的方法。
• Bicyclic compounds with kinase inhibitory activity
  申请人：Calderwood F. Emily

  公开号：US20070149533A1

  公开（公告）日：2007-06-28

  The present invention provides novel bicyclic compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.

  本发明提供了一种新颖的双环化合物，可用作蛋白激酶抑制剂。本发明还提供了包括本发明化合物的制药组合物以及使用该组合物治疗各种疾病的方法。
• Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers
  申请人：Redx Pharma PLC

  公开号：US10183939B2

  公开（公告）日：2019-01-22

  This invention relates to novel compounds. The compounds of the invention are kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Raf kinases, e.g., B-Raf and C-Raf. The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Raf kinases, for example, cancer, sarcoma, melanoma, skin cancer, haematological tumors, lymphoma, carcinoma, and leukemia.

  本发明涉及新型化合物。本发明的化合物是激酶抑制剂。具体来说，本发明的化合物可用作 Raf 激酶（如 B-Raf 和 C-Raf）的抑制剂。本发明还考虑使用本发明化合物治疗可通过抑制 Raf 激酶治疗的疾病，例如癌症、肉瘤、黑色素瘤、皮肤癌、血液肿瘤、淋巴瘤、癌和白血病。
• BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：EP1957460A1

  公开（公告）日：2008-08-20