(5-Chloro-2,6-dimethyl-pyrimidin-4-yl)-[3-methyl-4-(2-{2-[2-(pyridin-4-ylmethylsulfanyl)-ethoxy]-ethoxy}-ethylsulfanyl)-pyridin-2-ylmethyl]-amine | 251560-04-0

• 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: (5-Chloro-2,6-dimethyl-pyrimidin-4-yl)-[3-methyl-4-(2-{2-[2-(pyridin-4-ylmethylsulfanyl)-ethoxy]-ethoxy}-ethylsulfanyl)-pyridin-2-ylmethyl]-amine
• 英文别名: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[2-[2-[2-(pyridin-4-ylmethylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine
• CAS: 251560-04-0
• 化学式: C₂₅H₃₂ClN₅O₂S₂
• 分子量: 534.146
• InChiKey: SQBOBQZFUPCZCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  35
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (5-chloro-2,6-dimethyl-pyrimidin-4-yl)-(4-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethylsulfanyl}-3-methyl-pyridin-2-ylmethyl)-amine 、 4-pyridiniummethylisothiouronium chloride hydrochloride 以1.50 g (63%)的产率得到(5-Chloro-2,6-dimethyl-pyrimidin-4-yl)-[3-methyl-4-(2-{2-[2-(pyridin-4-ylmethylsulfanyl)-ethoxy]-ethoxy}-ethylsulfanyl)-pyridin-2-ylmethyl]-amine
  参考文献：
  名称：

  Pyrimidin-aminomethyl-pyridine derivatives, their preparation and their use in the control of helicobacter bacteria

  摘要：

  本发明涉及式(I)的化合物，其中R1、R2和R3为氢、1-4C-烷基或卤素；R4、R5、R6和R9为氢或1-4C-烷基；R7和R8为氢、1-4C-烷基、1-4C-烷氧基或卤素；A为1-7C-烷基、2-7C-烯基、3-7C-环烷基或苯基；G为氢、羟基、1-7C-烷基、受氟取代的1-4C-烷基、2-7C-烯基、3-7C-环烷基、一或二个1-4C-烷基氨基甲酰基或硫代氨基甲酰基、N-1-4C-烷基-N′-氰基氨基甲酰基、1-N-1-4C-烷基氨基-2-硝基乙烯、N-2-丙炔基-N′-氰基氨基甲酰基、氨基磺酰氨基甲酰基、—N(R10)R11，与A结合的式(I)化合物的部分、葡萄糖吡喃苷或可选择由R12和R13取代的环状系统或双环系统；X为氧、N-1-4C-烷基、NH或S；Y为氧、N-1-4C-烷基、NH、S、1,4-哌嗪亚烷基或1,4-哌啶亚烷基；Z为氧、N-1-4C-烷基、NH、S或CO；m为1至7；n为0至4；t为0、1或2；u为0或1，及其适用于控制幽门螺杆菌的盐。

  公开号：

  US06395732B1

文献信息

• PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA
  申请人：Byk Gulden Lomberg Chemische Fabrik GmbH

  公开号：EP1091957A1

  公开（公告）日：2001-04-18
• US6395732B1
  申请人：——

  公开号：US6395732B1

  公开（公告）日：2002-05-28
• [EN] PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA<br/>[FR] DERIVES PYRIMIDINE-AMINOMETHYLE-PYRIDINE, LEUR PREPARATION ET LEUR UTILISATION DANS LA LUTTE CONTRE LES BACTERIES HELICOBACTER
  申请人：BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH

  公开号：WO1999061439A1

  公开（公告）日：1999-12-02

  (EN) Compounds of formula (I) in which R1, R2 and R3 are hydrogen, 1-4C-alkyl or halogen, R4, R5, R6 and R9 are hydrogen or 1-4C-alkyl, R7 and R8 are hydrogen, 1-4C-alkyl, 1-4C-alkoxy or halogen, A is 1-7C-alkylene, 2-7C-alkenylene, 3-7C-cycloalkylene or phenylene, G is hydrogen, hydroxyl, 1-7C-alkyl, 1-4C-alkyl which is completely or mainly substituted by fluorine, 2-7C-alkenyl, 3-7C-cycloalkyl, a mono- or di-1-4C-alkylcarbamoyl or -thiocarbamoyl radical, an N-1-4C-alkyl-N'-cyanoamidino radical, a 1-N-1-4C-alkylamino-2-nitroethylene radical, an N-2-propynyl-N'-cyanoamidino radical, an aminosulfonylamidino radical, the radical -N(R10)R11, the part of the compound of formula (I) bonded to A (including X and via X), the glucopyranoside radical or a cyclic system or bicyclic system which is unsubstituted or substituted by R12 and R13 and which is selected from the group consisting of benzene, napththalene, furan, thiophene, pyrrole, oxazole, oxazoline, oxazolidinone, isoxazole, thiazole, thiazoline, isothiazole, imidazole, imidazoline, pyrazole, triazole, tetrazole, thiadiazole, thiadiazole 1-oxide, oxadiazole, pyridine, pyridine N-oxide, pyrimidine, halopyrimidine, piperidine, triazine, pyridone, benzimidazole, imidazopyridine, benzothiazole, benzoxazole, quinoline and imidazopyridazine, X is O (oxygen), N-1-4C-alkyl, NH or S, Y is O (oxygen), N-1-4C-alkyl, NH, S 1,4-piperazinylene or 1,4-piperidinylene, Z is O (oxygen), N-1-4C-alkyl, NH or S or CO, m is a number from 1 to 7, n is a number from 0 to 4, t is the number 0, 1 or 2 and u is the number 0 or 1, and their salts, are suitable for the control of Helicobacter bacteria.(FR) L'invention concerne des composés de formule (I), dans laquelle R1, R2 et R3 représentent hydrogène, alkyle C1-4 ou halogène, R4, R5, R6 et R9 représentent hydrogène ou alkyle C1-4, R7 et R8 représentent hydrogène, alkyle C1-4, alcoxy C1-4 ou halogène, A représente alkylène C1-7, alcénylène C2-7, cycloalkylène C3-7 ou phénylène, G représente hydrogène, hydroxyle, alkyle C1-7, alkyle C1-4 qui est intégralement ou principalement substitué par fluor, alcényle C2-7, cycloalkyle C3-7, un radical mono ou di-alkylcarbamoyle C1-4 ou thiocarbamoyle, un radicale N-alkyle C1-4-N'-cyanoamidino, un radical 1-N-alkylamino C1-4-2-nitroéthylène, un radical N-2-propynyl-N'-cyanoamidino, un radical aminosulfonylamidino, le radical N(R10)R11, la partie du composé de ladite formule (I) étant lié à A (X inclus et par l'intermédiaire de X), le radical glucopyranoside ou un système cyclique ou bicyclique substitué ou non par R12 et R13, et qui est choisi dans le groupe formé de benzène, naphtalène, furane, thiophène, pyrrole, oxazole, oxazoline, oxazolidinone, isoxazole, thiazole, thiazoline, isothiazole, imidazole, imidazoline, pyrazole, triazole, tétrazole, thiadiazole, 1-oxyde de thiadazole, oxadiazole, pyridine, N-oxyde de pyridine, pyrimidine, halopyrimidine, pipéridine, triazine, pyridone, benzimidazole, imidazopyridine, benzothiazole, benzoxazole, quinoléine et imidapyridazine, X représente O (oxygène), N-alkyle C1-4, NH ou S, Y représente O (oxygène), N-alkyle C1-4, NH, 1,4-pipérazinylène ou 1,4-pipéridinylène, Z représente O (oxygène), N-alkyle C1-4, NH ou S ou CO, m vaut un chiffre de 1 à 7, n vaut un chiffre de 0 à 4, t vaut 0, 1 ou 2 et u vaut 0 ou 1. L'invention porte aussi sur des sels desdits composés. Lesdits composés et sels sont utiles dans la lutte contre les bactéries Helicobacter.
• Pyrimidin-aminomethyl-pyridine derivatives, their preparation and their use in the control of helicobacter bacteria
  申请人：BYK Gulden Lomberg Chemische Fabrik GmbH

  公开号：US06395732B1

  公开（公告）日：2002-05-28

  The present invention relates to compounds of formula (I) wherein R1, R2, and R3 are hydrogen, 1-4C-alkyl, or halogen; R4, R5, R6, and R9 are hydrogen or 1-4C-alkyl; R7 and R8 are hydrogen, 1-4C-alkyl, 1-4C-alkoxy, or halogen; A is 1-7C-alkylene, 2-7C-alkenylene, 3-7C-cycloalkylene, or phenylene; G is hydrogen, hydroxyl, 1-7C-alkyl, 1-4C-alkyl substituted by fluorine, 2-7C-alkenyl, 3-7C-cycloalkyl, a mono- or di-1-4C-alkylcarbamoyl or -thiocarbamoyl, N-1-4C-alkyl-N′-cyanoamidino, 1-N-1-4C-alkylamino-2-nitroethylene, N-2-propynyl-N′-cyanoamidino, aminosulfonylamidino, —N(R10)R11, the part of the compound of formula (I) bonded to A, glucopyranoside, or a cyclic system or bicyclic system which is optionally substituted by R12 and R13; X is oxygen, N-1-4C-alkyl, NH, or S; Y is oxygen, N-1-4C-alkyl, NH, S, 1,4-piperazinylene, or 1,4-piperidinylene; Z is oxygen, N-1-4C-alkyl, NH, S, or CO; m is from 1 to 7; n is from 0 to 4; t is 0, 1, or 2; and u is 0 or 1, and their salts suitable for controlling Helicobacter bacteria.

  本发明涉及式(I)的化合物，其中R1、R2和R3为氢、1-4C-烷基或卤素；R4、R5、R6和R9为氢或1-4C-烷基；R7和R8为氢、1-4C-烷基、1-4C-烷氧基或卤素；A为1-7C-烷基、2-7C-烯基、3-7C-环烷基或苯基；G为氢、羟基、1-7C-烷基、受氟取代的1-4C-烷基、2-7C-烯基、3-7C-环烷基、一或二个1-4C-烷基氨基甲酰基或硫代氨基甲酰基、N-1-4C-烷基-N′-氰基氨基甲酰基、1-N-1-4C-烷基氨基-2-硝基乙烯、N-2-丙炔基-N′-氰基氨基甲酰基、氨基磺酰氨基甲酰基、—N(R10)R11，与A结合的式(I)化合物的部分、葡萄糖吡喃苷或可选择由R12和R13取代的环状系统或双环系统；X为氧、N-1-4C-烷基、NH或S；Y为氧、N-1-4C-烷基、NH、S、1,4-哌嗪亚烷基或1,4-哌啶亚烷基；Z为氧、N-1-4C-烷基、NH、S或CO；m为1至7；n为0至4；t为0、1或2；u为0或1，及其适用于控制幽门螺杆菌的盐。