1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
• 英文别名: Nocuolin A；1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
• 化学式: C₁₆H₃₀N₂O₃
• 分子量: 298.426
• InChiKey: MPGIDXBHXRMMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以60%的产率得到4-(3-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-oxopropoxy)-4-oxobutanoic acid
  参考文献：
  名称：

  COMPOUNDS HAVING ANTIINFECTIVE, ANTITUMORAL AND ANTIFUNGAL ACTIVITY

  摘要：

  这项发明涉及公式（I）的新化合物，其中一个Z是N，另一个是-C-R2，并且它们在医学中的应用，特别是在治疗和/或预防由细菌、真菌或病毒引起的感染或治疗和/或预防癌症方面。此外，该发明涉及一种获得该发明化合物的方法。

  公开号：

  EP3395805A1

文献信息

• DIHYDROOXADIAZINE COMPOUNDS FOR TREATING INFECTIONS AND CANCER
  申请人：Valoralia I Más D, SL

  公开号：EP3156400A1

  公开（公告）日：2017-04-19

  The invention relates to oxadiazine compounds and their use in medicine, particularly in treating and /or preventing infections caused by a bacterium, fungus or virus or in treating and/or preventing cancer. Additionally, the invention relates to a process for obtaining the compounds of the invention, said process comprising the steps of cultivating a strain of Dolichospermum sp in an aqueous nutrient medium with assimilable carbon and nitrogen sources and salts, under controlled aerobic conditions, and then recovering the compound of general formula (I) from the culture broth.

  本发明涉及噁二嗪化合物及其在医学中的用途，特别是在治疗和/或预防由细菌、真菌或病毒引起的感染或治疗和/或预防癌症中的用途。此外，本发明还涉及一种获得本发明化合物的工艺，所述工艺包括以下步骤：在可控有氧条件下，在含有可同化碳源、氮源和盐的水营养培养基中培养Dolichospermum sp菌株，然后从培养液中回收通式（I）化合物。
• USES OF OXADIAZINE COMPOUNDS
  申请人：Valoralia I Más D, S.L.U.

  公开号：EP3744328A1

  公开（公告）日：2020-12-02

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer or solvate thereof for use in the prevention and/or treatment of a pathology associated with proinflammatory conditions, a disease associated with oxidative stress or production of reactive oxygen species or a skin pigmentation disorder. In addition, the invention also relates to a cosmetic method for preventing and/or treating skin aging, irradiated skin or for skin-whitening comprising administering a compound of formula (I) or a cosmetically acceptable salt, stereoisomer or solvate thereof. In addition, the invention relates to a method of inhibition of enzymatic browning in food or beverage comprising contacting said food or beverage with a compound of formula (I) or a salt, stereoisomer or solvate thereof under conditions sufficient to inhibit enzymatic browning of said food or beverage.

  本发明涉及一种式(I)化合物或其药学上可接受的盐、立体异构体或溶解物，用于预防和/或治疗与促炎相关的病理、与氧化应激或活性氧产生相关的疾病或皮肤色素沉着疾病。此外，本发明还涉及一种用于预防和/或治疗皮肤老化、辐照皮肤或皮肤美白的美容方法，包括施用式（I）化合物或其美容上可接受的盐、立体异构体或溶解物。此外，本发明还涉及一种抑制食品或饮料中酶促褐变的方法，包括在足以抑制所述食品或饮料酶促褐变的条件下，将所述食品或饮料与式 (I) 化合物或其盐、立体异构体或溶液接触。
• Compounds having antiinfective, antitumoral and antifungal activity
  申请人：HORITZONTS TECNOLOGICS HUNGARY KORLÁTOLT FELELOSSÉGU TÁRSASÁG

  公开号：US11008295B2

  公开（公告）日：2021-05-18

  The invention relates to novel compounds and their use in medicine, particularly in treating and/or preventing infections caused by a bacterium, fungus or virus or in treating and/or preventing cancer. Additionally, the invention relates to a process for obtaining the compounds of the invention.

  本发明涉及新型化合物及其在医学中的用途，特别是在治疗和/或预防由细菌、真菌或病毒引起的感染或治疗和/或预防癌症中的用途。此外，本发明还涉及一种获得本发明化合物的工艺。
• Dihydrooxadiazine compounds for treating infections and cancer
  申请人：VALORALIA I MÁS D, SL

  公开号：US11241440B2

  公开（公告）日：2022-02-08

  The invention relates to the use of 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one in treating and/or preventing infections caused by a bacterium, fungus or virus or in treating and/or preventing cancer. Additionally, the invention relates to a process for obtaining the compound of formula (I) of the invention, said process comprising the steps of cultivating a strain of Dolichospermum sp in an aqueous nutrient medium with assimilable carbon and nitrogen sources and salts, under controlled aerobic conditions, and then recovering the compound of general formula (I) from the culture broth.

  本发明涉及 1-(4,6-二戊基-5,6-二氢-2H-1,2,3-恶二嗪-2-基)-3-羟基丙-1-酮在治疗和/或预防由细菌、真菌或病毒引起的感染或治疗和/或预防癌症中的用途。此外，本发明还涉及一种获得本发明式（I）化合物的工艺，所述工艺包括以下步骤：在可控有氧条件下，在含有可同化碳源、氮源和盐的水性营养培养基中培养 Dolichospermum sp 菌株，然后从培养液中回收通式（I）化合物。
• [EN] DIHYDROOXADIAZINE COMPOUNDS FOR TREATING INFECTIONS AND CANCER<br/>[FR] COMPOSÉS DE DIHYDROOXADIAZINE POUR LE TRAITEMENT DES INFECTIONS ET DU CANCER
  申请人：VALORALIA I MÁS D SL

  公开号：WO2017202481A1

  公开（公告）日：2017-11-30

  The invention relates to the use of l-(4,6-dipentyl-5,6- dihydro-2H-l,2,3-oxadiazin-2-yl)-3-hydroxypropan-l-one in treating and /or preventing infections caused by a bacterium, fungus or virus or in treating and/or preventing cancer. Additionally, the invention relates to a process for obtaining the compound of formula (I) of the invention, said process comprising the steps of cultivating a strain of Dolichospermum sp in an aqueous nutrient medium with assimilable carbon and nitrogen sources and salts, under controlled aerobic conditions, and then recovering the compound of general formula (I) from the culture broth.