3-hydroxymethylene-7-methoxy-2,2-dimethylchroman-4-one | 119233-09-9

• 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: 3-hydroxymethylene-7-methoxy-2,2-dimethylchroman-4-one
• 英文别名: (3Z)-3-(hydroxymethylidene)-7-methoxy-2,2-dimethylchromen-4-one
• CAS: 119233-09-9
• 化学式: C₁₃H₁₄O₄
• 分子量: 234.252
• InChiKey: ABEAQECASHOMNW-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-hydroxymethylene-7-methoxy-2,2-dimethylchroman-4-one 在 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 7-methoxy-3-methoxymethyl-2,2-dimethylchromene
  参考文献：
  名称：

  Brown, Philip E.; Islam, Qamrul, Journal of Chemical Research, Miniprint, 1988, # 7, p. 1634 - 1651

  摘要：

  DOI：
• 作为产物：
  描述：

  7-甲氧基-2,2-二甲基苯并二氢吡喃-4-酮 、 甲酸乙酯 在 sodium methylate 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以97%的产率得到3-hydroxymethylene-7-methoxy-2,2-dimethylchroman-4-one
  参考文献：
  名称：

  Brown, Philip E.; Islam, Qamrul, Journal of Chemical Research, Miniprint, 1988, # 7, p. 1634 - 1651

  摘要：

  DOI：

文献信息

• Selective modulators of the activity of the GPR55 receptor: chromenopyrazole derivatives
  申请人：Consejo Superior de Investigaciones Cientificas (CSIC)

  公开号：US10435412B2

  公开（公告）日：2019-10-08

  The present invention relates to a family of chromenopyrazole derivatives of formula (I): which have the ability to modulate the receptor of the cannabinoid family GPR55, whereby the invention also relates to the use of these compounds for the manufacture of a medicament for the treatment of diseases in which the GPR55 receptor has a physiological role such as diabetes, Parkinson's disease, multiple sclerosis, neuropathic pain, osteoporosis and cancers such as cholangiocarcinoma, breast cancer, ovarian and prostate cancer, glioblastoma, and cutaneous carcinoma.

  本发明涉及一系列式（I）的色原吡唑衍生物： 本发明还涉及使用这些化合物制造药物，用于治疗 GPR55 受体具有生理作用的疾病，如糖尿病、帕金森病、多发性硬化症、神经性疼痛、骨质疏松症和癌症，如胆管癌、乳腺癌、卵巢癌和前列腺癌、胶质母细胞瘤和皮肤癌。
• SELECTIVE MODULATORS OF THE ACTIVITY OF THE GPR55 RECEPTOR: CHROMENOPYRAZOLE DERIVATIVES
  申请人：Consejo Superior de Investigaciones Científicas (CSIC)

  公开号：EP3305794B1

  公开（公告）日：2020-02-05
• BROWN, PHILIP E.;ISLAM, QAMRUL, J. CHEM. RES. SYNOP.,(1988) N 7, 208
  作者：BROWN, PHILIP E.、ISLAM, QAMRUL

  DOI：——

  日期：——
• Selective Modulators of the Activity of the GPR55 Receptor: Chromenopyrazole Derivatives
  申请人：Consejo Superior de Investigaciones Cientificas (CSIC)

  公开号：US20180201620A1

  公开（公告）日：2018-07-19

  The present invention relates to a family of chromenopyrazole derivatives of formula (I): which have the ability to modulate the receptor of the cannabinoid family GPR55, whereby the invention also relates to the use of these compounds for the manufacture of a medicament for the treatment of diseases in which the GPR55 receptor has a physiological role such as diabetes, Parkinson's disease, multiple sclerosis, neuropathic pain, osteoporosis and cancers such as cholangiocarcinoma, breast cancer, ovarian and prostate cancer, glioblastoma, and cutaneous carcinoma.
• [EN] SELECTIVE MODULATORS OF THE ACTIVITY OF THE GPR55 RECEPTOR: CHROMENOPYRAZOLE DERIVATIVES<br/>[ES] MODULADORES SELECTIVOS DE LA ACTIVIDAD DEL RECEPTOR GPR55: DERIVADOS DE CROMENOPIRAZOL<br/>[FR] MODULATEURS SÉLECTIFS DE L'ACTIVITÉ DU RÉCEPTEUR GPR55: DÉRIVÉS DE CHROME-OPIRAZOL
  申请人：CONSEJO SUPERIOR DE INVESTIG CIENIFICAS (CSIC)

  公开号：WO2016177922A1

  公开（公告）日：2016-11-10

  La presente invención se refiere a una familia de compuestos derivados de cromenopirazol de fórmula (I): que presentan la capacidad de modular el receptor de la familiade los cannabinoides GPR55, por lo que la invención también se refiere al uso de estos compuestos para la fabricación de un medicamento para el tratamiento de enfermedades en las que el receptor GPR55 tiene un papel fisiológico, tales como, diabetes, enfermedad de Parkinson, esclerosis múltiple, dolor neuropático, osteoporosis y cánceres como el colangiocarcinoma, el cáncer de mama, el cáncer de ovario y de próstata, el glioblastoma y el carcinoma cutáneo.