4-tert-butyl-N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-tert-butyl-N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
• 化学式: C22H22ClN2O4S+
• 分子量: 445.9
• InChiKey: SIPBEROVRHZCCF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• POLYMORPHIC FORMS OF THE SODIUM SALT OF 4-TERT-BUTYL-N-[4-CHLORO-2-(1-OXY-PYRIDINE-4-CARBONYL)-PHENYL]-BENZENESULFONAMIDE
  申请人：ChemoCentryx, Inc.

  公开号：US20160039763A1

  公开（公告）日：2016-02-11

  Disclosed are novel novel polymorphic solvated and desolvated forms of the sodium salt of 4-tert-butyl-N-[chloro-2-(1-oxy-pyridine-4-carbonyl-phenyl]-benzenesulfonamide. One embodiment of the present invention is directed to a crystalline sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]benzenesulfonamide (hereinafter “Compound A-1,4-dioxane/water solvate”), wherein the crystalline form is characterized by an X-ray powder diffraction pattern comprising diffraction angles (° 28), when measured using Cu Ku radiation, at about 4.0, 8.1, 10.1, 14.2, 16.2, 18.6, 20.3, 24.7, 25.0, and 26.5.

  本发明涉及4-叔丁基-N-[氯-2-(1-氧基-吡啶-4-羰基)-苯基]-苯磺酰胺的钠盐的新颖多态溶解和脱溶解形式。本发明的一个实施例是针对4-叔丁基-N-[4-氯-2-(1-氧基-吡啶-4-羰基)-苯基]苯磺酰胺的结晶钠盐（下称“化合物A-1,4-二噁烷/水溶剂”），其中晶体形态的X射线粉末衍射图谱包括衍射角（°28），当使用CuKu辐射测量时，约为4.0、8.1、10.1、14.2、16.2、18.6、20.3、24.7、25.0和26.5。
• A CRYSTALLINE FORM OF THE SODIUM SALT OF 4-TERT-BUTYL-N-[4-CHLORO-2-(1-OXY-PYRIDINE-4-CARBONYL)-PHENYL]-BENZENE SULFONAMIDE
  申请人：ChemoCentryx, Inc.

  公开号：EP2748146B1

  公开（公告）日：2017-03-08
• POLYMORPHIC FORMS OF THE SODIUM SALT OF 4-TERT- BUTYL -N-[4-CHLORO-2-(1-OXY-PYRIDINE-4-CARBONYL)-PHENYL]-BENZENE SULFONAMIDE
  申请人：Bis Joanna

  公开号：US20140171473A1

  公开（公告）日：2014-06-19

  Disclosed are novel novel polymorphic solvated and desolvated forms of the sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)phenyl]-benzenesulfonamide. One embodiment of the present invention is directed to a crystalline sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]benzenesulfonamide (hereinafter “Compound A-1,4-dioxane/water solvate”), wherein the crystalline form is characterized by an X-ray powder diffraction pattern comprising diffraction angles (° 28), when measured using Cu Ku radiation, at about 4.0,8.1, 10.1, 14.2, 16.2, 18.6,20.3,24.7,25.0, and 26.5.
• US9150513B2
  申请人：——

  公开号：US9150513B2

  公开（公告）日：2015-10-06
• US9493417B2
  申请人：——

  公开号：US9493417B2

  公开（公告）日：2016-11-15