N-(6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)-2-((4-fluorobenzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide | 1418112-77-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)-2-((4-fluorobenzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide
• 英文别名: Vimnerixin；N-[6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxy-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylazetidine-1-sulfonamide
• CAS: 1418112-77-2
• 化学式: C₁₉H₂₅FN₄O₅S₂
• 分子量: 472.562
• InChiKey: UCCNQCNIPRKLRP-CJNGLKHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  159
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-(4-fluorobenzylthio)pyrimidine-4,6-diol 在 sodium hydride 、 三氯氧磷 作用下， 生成 N-(6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)-2-((4-fluorobenzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide
  参考文献：
  名称：

  [EN] CXCR-2 INHIBITORS FOR TREATING CRYSTAL ARTHROPATHY DISORDERS
  [FR] INHIBITEURS DU CXCR-2 PERMETTANT DE TRAITER DES TROUBLES ASSOCIÉS À UNE ARTHROPATHIE CRISTALLINE

  摘要：

  N-(2-((2,3-二氟苄基)硫基)-6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)嘧啶-4-基)氮杂环丙磺酰胺（化合物3）和N-(6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)-2-((4-氟苄基)硫基)嘧啶-4-基)-3-甲基氮杂环丙磺酰胺（化合物4）是已知的化学调节剂，因此在调节趋化因子受体活性有益的疾病/症状的治疗中很有用。特别提供了用于痛风的治疗和预防的组合物和方法。

  公开号：

  WO2017156270A1

文献信息

• [EN] N- (6- ( (2R,3S) -3,4-DIHYDROXYBUTAN-2-YLOXY) -2- (4 - FLUOROBENZYLTHIO) PYRIMIDIN- 4 - YL) -3- METHYLAZETIDINE- 1 - SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR<br/>[FR] N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO) PYRIMIDIN-4-YL)-3-METHYLAZETIDINE-1-SULFONAMIDE UTILISÉ EN TANT QUE MODULATEUR DU RÉCEPTEUR DE CHIMIOKINE
  申请人：ASTRAZENECA AB

  公开号：WO2013008002A1

  公开（公告）日：2013-01-17

  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.

  提供了一种化合物，该化合物是（a）式（I）的嘧啶磺胺或（b）其药用可接受盐，该化合物的晶型，获得该化合物的过程，用于制造该化合物的药用中间体，以及含有该化合物的药物组合物。该化合物在治疗需要调节趋化因子受体活性有益的疾病/症状中有用。
• CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS
  申请人：ASTRAZENECA AB

  公开号：US20150210655A1

  公开（公告）日：2015-07-30

  The present disclosure relates to certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamide compounds (including pharmaceutically acceptable salts thereof), that inhibit dipeptidyl peptidase 1 (DPP1) activity, to their utility in treating and/or preventing clinical conditions including respiratory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), to their use in therapy, to pharmaceutical compositions containing them and to processes for preparing such compounds.

  本公开涉及某些（2S）-N-[(1S)-1-氰基-2-苯乙基]-1,4-噁唑烷-2-羧酰胺化合物（包括其药用盐），其抑制二肽基肽酶1（DPP1）活性，用于治疗和/或预防包括哮喘和慢性阻塞性肺病（COPD）在内的临床疾病，以及它们在治疗中的用途，含有它们的药物组合物以及制备这类化合物的方法。
• 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。