6-((R)-5-iodomethyl-2-oxo-oxazolidin-3-yl)-4H-benzo[1,4]thiazin-3-one | 1072827-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6-((R)-5-iodomethyl-2-oxo-oxazolidin-3-yl)-4H-benzo[1,4]thiazin-3-one
• 英文别名: (5R)-5-(iodomethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• CAS: 1072827-45-2
• 化学式: C₁₂H₁₁IN₂O₃S
• 分子量: 390.201
• InChiKey: MMIIXAFXTFJFQJ-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-((R)-5-chloromethyl-2-oxo-oxazolidin-3-yl)-4H-benzo[1,4]thiazin-3-one 在 sodium iodide 作用下， 以 丁酮 为溶剂， 反应 96.0h， 以81%的产率得到6-((R)-5-iodomethyl-2-oxo-oxazolidin-3-yl)-4H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  [EN] OXAZOLIDINYL ANTIBIOTICS
  [FR] ANTIBIOTIQUES OXAZOLIDINYLE

  摘要：

  公开号：

  WO2010041218A3

文献信息

• OXAZOLIDINONE ANTIBIOTICS
  申请人：Bur Daniel

  公开号：US20110039823A1

  公开（公告）日：2011-02-17

  The invention relates to compounds of formula (I) wherein U, V, W, X, R1, R2, R3, R4, R5, R6, A, B, D, E, G, m, and n are as defined in the description, to pharmaceutically acceptable salts of such compounds for use in the manufacture of a medicament for the prevention or treatment of a bacterial infection. Certain compounds of formula (I) are new and are also part of this invention.

  本发明涉及式(I)的化合物，其中U、V、W、X、R1、R2、R3、R4、R5、R6、A、B、D、E、G、m和n的定义如说明书中所述，还涉及用于制造预防或治疗细菌感染的药物的上述化合物的药用可接受盐。式(I)中的某些化合物是新颖的，也是本发明的一部分。
• [EN] 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES<br/>[FR] DÉRIVÉS 5-AMINOCYCLYLMÉTHYLOXAZOLIDIN-2-ONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009077989A1

  公开（公告）日：2009-06-25

  The invention relates to antibacterial compounds of formula (I) wherein one or two of U, V, W, and X represent N, the rest represent CH or, in the case of X, may also represent CRa wherein Ra is fluorine; R1 represents alkoxy, halogen or cyano; R2 represents H, CH2OH, CH2N3, CH2NH2, alkylcarbonylaminomethyl or triazol- 1-ylmethyl; R3 represents H, or, when n is 1, R3 may also represent OH, NH2, NHCOR6 or triazol-1-yl; A represents CR4; K represents O, NH, OCH2, NHCO, NHCH2, CH2NH, CH2CH2, CH=CH, CHOHCHOH or CHR5; R4 represents H or together with R5 forms a bond, or also R4 can represent OH when K is not O, NH, OCH2 or NHCO; R5 represents OH or together with R4 forms a bond; R6 represents alkyl; m is O or 1 and n is O or 1; and G is as defined in the description; and to salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中U、V、W和X中的一个或两个代表N，其余代表CH或者在X的情况下，也可以代表CRa，其中Ra为氟；R1代表烷氧基、卤素或氰基；R2代表H、CH2OH、CH2N3、CH2NH2、烷基羰基氨甲基或三唑-1-基甲基；R3代表H，或者当n为1时，R3也可以代表OH、NH2、NHCOR6或三唑-1-基；A代表CR4；K代表O、NH、OCH2、NHCO、NHCH2、CH2NH、CH2CH2、CH=CH、CHOHCHOH或CHR5；R4代表H，或者与R5一起形成键，或者当K不是O、NH、OCH2或NHCO时，R4也可以代表OH；R5代表OH，或者与R4一起形成键；R6代表烷基；m为O或1，n为O或1；G如描述中所定义；以及这些化合物的盐。
• [EN] 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES<br/>[FR] DÉRIVÉS ANTIBIOTIQUES DE 2-OXO-OXAZOLIDIN-3,5-DIYLE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013068948A1

  公开（公告）日：2013-05-16

  The invention relates to antibacterial compounds of formula I (Fornula I) (I) wherein R1a represents H or carboxy and R1b represents H, or R1a and R1b represent together either the group *-C(0)-NH-S-# or the group *-C(OH)=N-S-# wherein "*" represents the point of attachment of R1a and "#" represents the point of attachment of R1b; R2 represents H, (C1-C3)alkyl, hydroxy-(C1C3)alkyl, benzyl or (C3-C5)cycloalkyl; R3 represents H or halogen; U represents N or CR4; wherein R4 is H or (C1-C3)alkoxy; A represents CH, B represents NH and m represents 1 or 2 and n represents 1 or 2; or A represents N, B is absent, m represents 2 and n represents 2; Y represents CH or N; and Q represents O or S; and salts of such compounds.

  该发明涉及具有以下结构的抗菌化合物（结构式 I）（I）其中 R1a 代表 H 或 羧基，R1b 代表 H，或者 R1a 和 R1b 一起代表 *-C(0)-NH-S-# 或 *-C(OH)=N-S-# 这两个基团，其中 "*" 代表 R1a 的连接点，"#" 代表 R1b 的连接点；R2 代表 H，(C1-C3)烷基，羟基-(C1-C3)烷基，苄基或 (C3-C5)环烷基；R3 代表 H 或 卤素；U 代表 N 或 CR4；其中 R4 为 H 或 (C1-C3)烷氧基；A 代表 CH，B 代表 NH，m 代表 1 或 2，n 代表 1 或 2；或者 A 代表 N，B 不存在，m 代表 2，n 代表 2；Y 代表 CH 或 N；Q 代表 O 或 S；以及这些化合物的盐。
• 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US20150051188A1

  公开（公告）日：2015-02-19

  The invention relates to antibacterial compounds of formula I wherein R 1a represents H or carboxy and R 1b represents H, or R 1a and R 1b represent together either the group *—C(O)—NH—S— # or the group *—C(OH)═N—S— # wherein “*” represents the point of attachment of R 1a and “ # ” represents the point of attachment of R 1b ; R 2 represents H, (C 1 -C 3 )alkyl, hydroxy-(C 1 -C 3 )alkyl, benzyl or (C 3 -C 5 )cycloalkyl; R 3 represents H or halogen; U represents N or CR 4 ; wherein R 4 is H or (C 1 -C 3 )alkoxy; A represents CH, B represents NH and m represents 1 or 2 and n represents 1 or 2; or A represents N, B is absent, m represents 2 and n represents 2; Y represents CH or N; and Q represents O or S; and salts of such compounds.

  该发明涉及化学式I的抗菌化合物，其中R1a代表H或羧基，R1b代表H，或者R1a和R1b共同代表*—C(O)—NH—S—#或*—C(OH)═N—S—#这两种基团，其中“*”表示R1a的连接点，“#”表示R1b的连接点；R2代表H，(C1-C3)烷基，羟基-(C1-C3)烷基，苄基或(C3-C5)环烷基；R3代表H或卤素；U代表N或CR4；其中R4是H或(C1-C3)烷氧基；A代表CH，B代表NH，m代表1或2，n代表1或2；或者A代表N，B不存在，m代表2，n代表2；Y代表CH或N；Q代表O或S；以及这些化合物的盐。
• [EN] TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES OXAZOLIDINONE TRICYCLIQUE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010041194A1

  公开（公告）日：2010-04-15

  The invention relates to antibacterial compounds of formula (I) wherein “-----” is a bond or is absent, V is CH, CR 6 or N; R 0 is H or, if “-----” is a bond, may also be alkoxy; R 1 is notably H or halogen; U is CH or N when “-----” is a bond, or, if “-----” is absent, U is CH 2, NH or NR 9; R 2 is H, alkylcarbonyl or –CH 2 -R 3; R 3 is H, alkyl or hydroxyalkyl; R 4 is H or, if n is not 0 and R 5 is H, may also be OH; R 5 is H, alkyl, hydroxyalkyl, aminoalkyl, alkoxyalkyl, carboxy or alkoxycarbonyl; R 6 is hydroxyalkyl, carboxy, alkoxycarbonyl or -(CH 2 ) q -NR 7 R 8, q being 1, 2 or 3 and each of R 7 and R 8 independently being H or alkyl or R 7 and R 8 forming with the N atom bearing them a ring; R 9 is alkyl or hydroxyalkyl; A is -(CH 2 ) p -, -CH 2 CH 2 CH(OH)- or -COCH 2 CH(OH)-; G is substituted phenyl or G 1 or G 2, wherein Q is O or S and X is CH or N; and Y 1, Y 2 and Y 3 may each be CH or N; and n is 0 when A is -CH 2 CH 2 CH(OH)- or -COCH 2 CH(OH)-, and n is 0, 1 or 2 when A is -(CH 2 ) p -, p being 1, 2, 3 or 4, with the proviso that the sum of n and p is then 2, 3 or 4; and to salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中“-----”是键或不存在，V是CH，CR 6或N; R 0是H或如果“-----”是键，则也可以是烷氧基; R 1主要是H或卤素; 当“-----”是键时，U是CH或N，或者如果“-----”不存在，则U是CH 2，NH或NR 9; R 2是H，烷基羰基或-CH 2 -R 3; R 3是H，烷基或羟基烷基; R 4是H或如果n不为0且R 5为H，则也可以是OH; R 5是H，烷基，羟基烷基，氨基烷基，烷氧基烷基，羧基或烷氧羰基; R 6是羟基烷基，羧基，烷氧羰基或-(CH 2 ) q -NR 7 R 8，其中q为1、2或3，且R 7和R 8中的每一个独立地是H或烷基，或R 7和R 8与携带它们的N原子形成一个环; R 9是烷基或羟基烷基; A是-(CH 2 ) p-，-CH 2 CH 2 CH(OH)-或-COCH 2 CH(OH)-; G是取代苯基或G 1或G 2，其中Q是O或S，X是CH或N; Y 1、Y 2和Y 3每个可以是CH或N; 当A为-CH 2 CH 2 CH(OH)-或-COCH 2 CH(OH)-时，n为0，当A为-(CH 2 ) p-，p为1、2、3或4时，n为0、1或2，但n和p的总和为2、3或4; 以及这些化合物的盐。