1-Methyl-2-isopropyl-pyridinium | 59655-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-Methyl-2-isopropyl-pyridinium
• 英文别名: Pyridinium, 1-methyl-2-(1-methylethyl)-；1-methyl-2-propan-2-ylpyridin-1-ium
• CAS: 59655-68-4
• 化学式: C₉H₁₄N
• 分子量: 136.217
• InChiKey: FYKODJNNWRAIMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  0

文献信息

• Viral Polymerase Inhibitors
  申请人：Beaulieu Pierre Louis

  公开号：US20090087409A1

  公开（公告）日：2009-04-02

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 , wherein R 5 has the same definition as R 4 ; M is N or CR 7 , wherein R 7 has the same definition as R 4 ; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; and R 6 is H, alkyl, cycloalkyl, alkenyl, Het, alkyl-aryl, alkyl-Het; or R 6 is wherein R 7 and R 8 and Q are as defined herein; Y 2 is O or S; R 9 is H, (C 1-6 alkyl), (C 3-7 )cycloalkyl or (C 1-6 )alkyl-(C 3-7 )cycloalkyl, aryl, Het, (C 1-6 )alkyl-aryl or (C 1-6 )alkyl-Het, all of which optionally substituted with R 90 ; or R 9 is covalently bonded to either of R 7 or R 8 to form a 5- or 6-membered heterocycle; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的同分异构体、对映异构体、非对映异构体或互变异构体，由公式I表示：其中：A为O、S、NR1或CR1，其中R1在此定义；表示单键或双键；R2选自：H、卤素、R21、OR21、SR21、COOR21、SO2N（R22）2、N（R22）2、CON（R22）2、NR22C（O）R22或NR22C（O）NR22，其中R21和每个R22在此定义；B为NR3或CR3，但A或B中的一个为CR1或CR3，其中R3在此定义；K为N或CR4，其中R4在此定义；L为N或CR5，其中R5具有与R4相同的定义；M为N或CR7，其中R7具有与R4相同的定义；Y1为O或S；Z为N（R6a）R6或OR6，其中R6a为H或烷基，或NR61R62，其中R61和R62在此定义；R6为H、烷基、环烷基、烯基、Het、烷基-芳基、烷基-Het；或R6为，其中R7、R8和Q在此定义；Y2为O或S；R9为H、（C1-6）烷基、（C3-7）环烷基或（C1-6）烷基-（C3-7）环烷基、芳基、Het、（C1-6）烷基-芳基或（C1-6）烷基-Het，其中所有这些都可以选择地用R90取代；或R9与R7或R8中的任意一个共价键结合形成5-或6-成员杂环；其盐或衍生物，作为HCV NS5B聚合酶的抑制剂。
• CEPHALOSPORIN HAVING CATECHOL GROUP
  申请人：Shionogi&Co., Ltd.

  公开号：EP2341053A1

  公开（公告）日：2011-07-06

  The present invention provides Cephem compounds which have a wide antimicrobial spectrum and have potent antimicrobial activity against beta-lactamase producing Gram negative bacteria as follows: A compound of the formula: wherein, X is N, CH or C-Cl; T is S or the like; A and G are lower alkylene or the like; B is a single bond or the like; D is a single bond, -NR7-, -CO-, -CO-NR7-, -NR7-CO-, -NR7-CO-NR7-, or the like; E is optionally substituted lower alkylene; F is a single bond or optionally substituted phenylene; R3, R4, R5 and R6 each is independently hydrogen, halogene, nitrile, or the like; or an ester, a compound protected at the amino on the ring in the 7-side chain, a pharmaceutically acceptable salt, or a solvate thereof.

  本发明提供的 Cephem 化合物具有广泛的抗菌谱，对产生β-内酰胺酶的革兰氏阴性菌具有强效抗菌活性，具体如下： 式中的化合物： 其中 X 是 N、CH 或 C-Cl； T 是 S 或类似物； A 和 G 是低级亚烷基或类似物质 B 是单键或类似物 D 是单键、-NR7-、-CO-、-CO-NR7-、-NR7-CO-、-NR7-CO-NR7-等； E 是任选取代的低级亚烷基； F 是单键或任选取代的亚苯基； R3、R4、R5 和 R6 各自独立地为氢、卤素、腈或类似物； 或酯、在 7 侧链中环上氨基处受保护的化合物、药学上可接受的盐或其溶液。
• Method of preventing contrast-induced nephropathy
  申请人：Fink Mitchell P.

  公开号：US20090257999A1

  公开（公告）日：2009-10-15

  The present invention relates to methods of preventing contrast-induced nephropathy including the step of administering an effective amount of a compound (e.g., a peroxynitrite decomposition agent, a PARP inhibitor or a superoxide dismutase mimic) to a subject to be administered a contrast agent.
• EFFICIENT, CATALYTIC AND SCALABLE METHOD TO PRODUCE CHLORINE DIOXIDE
  申请人：Groves John T.

  公开号：US20130209573A1

  公开（公告）日：2013-08-15

  Methods, kits, cartridges and compounds related to generating chlorine dioxide by exposing ClO 2 − to at least one of a manganese porphyrin catalyst or a manganese porphyrazine catalyst are described.
• IRON PORPHYRAZINES AS EFFICIENT, CATALYTIC AND SCALABLE METHOD TO PRODUCE CHLORINE DIOXIDE
  申请人：The Trustees of Princeton University

  公开号：US20160340189A1

  公开（公告）日：2016-11-24

  Methods, kits, cartridges, and compounds related to generating chlorine dioxide by exposing ClO 2 − to at least one of an iron porphyrin catalyst or an iron porphyrazine catalyst are described.