(2,2-Dimethyl-[1,3]dioxolan-4-yl)-hydroxy-acetic acid methyl ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2,2-Dimethyl-[1,3]dioxolan-4-yl)-hydroxy-acetic acid methyl ester
• 英文别名: Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
• 化学式: C₈H₁₄O₅
• mdl: MFCD01457283
• 分子量: 190.196
• InChiKey: JSFASCPVVJBLRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2,2-Dimethyl-[1,3]dioxolan-4-yl)-hydroxy-acetic acid methyl ester 在 4-hydroxy-TEMPO benzoate 、 sodium acetate 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到(2,2-Dimethyl-[1,3]dioxolan-4-yl)-oxo-acetic acid methyl ester
  参考文献：
  名称：

  Oxidations of Dihydroxyalkanoates to Vicinal Tricarbonyl Compounds with a 4-BzoTEMPO-Sodium Bromite System or by Indirect Electrolysis Using 4-BzoTEMPO and Bromide Ion

  摘要：

  开发了一种高效的方法，从2,3-二羟基烷酸盐获取邻位二氧烷酸盐，这是一种强效竞争性水解酶抑制剂的结构元素。该方法具有一步法程序，并使用可回收的2,2,6,6-四甲基哌啶-1-氧与NaBrO2·3H2O或电生成的活性溴种作为实际氧化剂，且氧化条件温和。

  DOI：

  10.1246/cl.1994.1411

文献信息

• CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENYL)METHYL]THIO]-6--4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE
  申请人：Gullberg Britt Anne Ingela

  公开号：US20120015927A1

  公开（公告）日：2012-01-19

  There is provided crystalline forms of N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(1R,2S)-2,3-dihydroxy-1-methylpropyl]oxy}-4-pyrimidinyl]1-azetidinesulfon-amide anhydrate. Such compounds/forms may be useful in the treatment of a disease/condition in which modulation of chemokine receptor activity is beneficial.

  提供了N-[2-[[(2,3-二氟苯基)甲基]硫]-6-[(1R,2S)-2,3-二羟基-1-甲基丙基]氧基}-4-嘧啶基]1-氮杂环磺酰胺无水晶形态。这种化合物/形态可能在调节趋化因子受体活性有益的疾病/病症治疗中有用。
• [EN] NEW CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENY)METHYL)THIO]-6-{[(1R,2S)-2,3-DIHYDROXY-1- METHYLPROPYL]OXY}-4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE<br/>[FR] NOUVELLES FORMES CRISTALLINES DE N-[2-[[(2,3-DIFLUOROPHÉNYLE)MÉTHYL)THIO]-6-{[(1R,2S)-2,3-DIHYDROXY-1- MÉTHYLPROPYL]OXY}-4-PYRIMIDINYL]-1-AZÉTIDINESULFONAMIDE
  申请人：ASTRAZENECA AB

  公开号：WO2012007748A1

  公开（公告）日：2012-01-19

  There is provided crystalline forms of N-[2-[[(2,3-difluorophenyl)methyl]thio]-6- [(1R,2S)-2,3-dihydroxy-1-methylpropyl]oxy}-4-pyrimidinyl]-1-azetidinesulfon-amide 5 anhydrate. Such compounds/forms may be useful in the treatment of a disease/condition in which modulation of chemokine receptor activity is beneficial.

  提供了N-[2-[[(2,3-二氟苯基)甲基]硫]-6-[(1R,2S)-2,3-二羟基-1-甲基丙基]氧基}-4-嘧啶基]-1-氮杂环磺酰胺5无水晶形态。这些化合物/形式可能在调节趋化因子受体活性有益的疾病/状况的治疗中有用。
• NOVEL COMPOUND
  申请人：CONNOLLY Stephen

  公开号：US20130040926A1

  公开（公告）日：2013-02-14

  There is provided a compound which is (a) a pyrimidine sulfonamide of formula (I) or (b) a pharmaceutically acceptable salt thereof, crystalline forms of the compound, processes for obtaining the compound, pharmaceutical intermediates used in the manufacture of the compound, and pharmaceutical compositions containing the compound. The compound is useful in the treatment of a disease/condition in which modulation of chemokine receptor activity is beneficial.

  本发明提供了一种化合物，该化合物为（a）式（I）的嘧啶磺酰胺或其药学上可接受的盐，或（b）该盐的结晶形式，以及用于制造该化合物的药物中间体和含有该化合物的制剂。该化合物可用于治疗需要调节趋化因子受体活性有益的疾病/状况。
• Novel Compound
  申请人：AstraZeneca AB

  公开号：US20140228339A1

  公开（公告）日：2014-08-14

  There is provided a compound which is (a) a pyrimidine sulfonamide of formula (I) or (b) a pharmaceutically acceptable salt thereof, crystalline forms of the compound, processes for obtaining the compound, pharmaceutical intermediates used in the manufacture of the compound, and pharmaceutical compositions containing the compound. The compound is useful in the treatment of a disease/condition in which modulation of chemokine receptor activity is beneficial.

  提供一种化合物，它是（a）式（I）的嘧啶磺酰胺或（b）其药学上可接受的盐，该化合物的晶体形式，制备该化合物的工艺，用于制造该化合物的药物中间体以及含有该化合物的药物组合物。该化合物在调节趋化因子受体活性有益的疾病/状况的治疗中有用。
• N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO)PYRIMIDIN-4-YL)-3-METHYLAZETIDINE-L -SULFONAMIDE
  申请人：IP Gesellschaft für Management mbH

  公开号：EP3141235A1

  公开（公告）日：2017-03-15

  The invention relates to an administration unit comprising 0.1 µg to 2 g of a crystalline form or pharmaceutical acceptable salt of N-(6-((2R,3S)-3,4-dihydroxybutan-2-yloxy)-2-(4-fluorobenzylthio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide. The invention also relates to a packaging comprising one or more such administration units.

  本发明涉及一种给药单元，包含 0.1 微克至 2 克 N-(6-((2R,3S)-3,4-二羟基丁-2-基氧基)-2-(4-氟苄硫基)嘧啶-4-基)-3-甲基氮杂环丁烷-1-磺酰胺的结晶形式或药物可接受盐。本发明还涉及一种包含一个或多个此类给药单元的包装。