methanesulfonic acid (S)-2-oxo-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-oxazolidin-5-ylmethyl ester | 1422210-70-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: methanesulfonic acid (S)-2-oxo-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-oxazolidin-5-ylmethyl ester
• 英文别名: [(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
• CAS: 1422210-70-5
• 化学式: C₁₂H₁₃N₃O₆S₂
• 分子量: 359.384
• InChiKey: DBSGQTQJEVTHFR-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  149
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(2-aminoethyl)-2,4(1H,3H)-quinazolinedione 、 methanesulfonic acid (S)-2-oxo-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-oxazolidin-5-ylmethyl ester 以the title compound was obtained as a yellow solid (21 mg; 18% yield)的产率得到3-(2-{[(R)-2-oxo-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-oxazolidin-5-ylmethyl]-amino}-ethyl)-1H-quinazoline-2,4-dione
  参考文献：
  名称：

  QUINAZOLINE-2,4-DIONE DERIVATIVES

  摘要：

  本发明涉及公式（I）的抗菌化合物，其中R1为H，卤素，（C1-C3）烷基或（C1-C3）烷氧基；R2为H，卤素，（C1-C3）烷基，（C1-C3）烷氧基或吡咯烷-1-基；R3为H，卤素，（C1-C3）烷基，（C1-C3）烷氧基，乙烯基或2-甲氧羰基乙烯基或R2和R3与它们所带的两个碳原子一起形成苯环；R4为H，卤素，（C1-C3）烷基或（C1-C3）烷氧基；R5为H，（C1-C3）烷基或环丙基，或R4和R5一起形成-CH2CH2CH2-基团；A是双价基团-CH2-，-CH2CH2-，#-CH（OH）CH2- *，#-CH2N（R6）- *和-CH2NHCH2-，其中#表示连接到可选择取代的（喹唑啉-2,4-二酮-3-基）甲基残基的连接点，*代表连接到取代的（噁唑啉-4-基）甲基残基的连接点；R6为H或乙酰基；Y为CH或N；Q为O或S；以及这些化合物的盐。

  公开号：

  US20140171425A1

文献信息

• [EN] QUINAZOLINE-2,4-DIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINAZOLINE-2,4-DIONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013021363A1

  公开（公告）日：2013-02-14

  The invention relates to antibacterial compounds of formula (I), wherein R1 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy; R2 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy or pyrrolidin-l-yl; R3 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy, vinyl or 2-methoxycarbonylvinyl or R2 and R3 together with the two carbon atoms which bear them form a phenyl ring; R4 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy and R5 is H, (C1-C3)alkyl or cyclopropyl, or R4 and R5 form together a -CH2CH2CH2- group; A is the divalent group -CH2-, -CH2CH2-, #-CH(OH)CH2-*, #-CH2N(R6)-* or -CH2NHCH2-, wherein # indicates the point of attachment to the optionally substituted (quinazoline-2,4-dione-3-yl)methyl residue and * represents the point of attachment to the substituted (oxazolidinon-4-yl)methyl residue; R6 is H or acetyl; Y is CH or N; and Q is O or S; and salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中R1为H、卤素、(C1-C3)烷基或(C1-C3)氧烷基；R2为H、卤素、(C1-C3)烷基、(C1-C3)氧烷基或吡咯烷-1-基；R3为H、卤素、(C1-C3)烷基、(C1-C3)氧烷基、乙烯基或2-甲氧羰基乙烯基，或者R2和R3与它们所连接的两个碳原子一起形成苯环；R4为H、卤素、(C1-C3)烷基或(C1-C3)氧烷基，R5为H、(C1-C3)烷基或环丙基，或者R4和R5一起形成一个- -基团；A为二价基团-CH2-、- -、#-CH(OH) -*、#- N(R6)-*或- NH -，其中#表示可选择取代的(喹唑啉-2,4-二酮-3-基)甲基残基的连接点，*表示取代的(噁唑烷酮-4-基)甲基残基的连接点；R6为H或乙酰基；Y为CH或N；Q为O或S；以及这类化合物的盐。
• Quinazoline-2,4-dione derivatives
  申请人：Hubschwerlen Christian

  公开号：US08916573B2

  公开（公告）日：2014-12-23

  The invention relates to antibacterial compounds of formula (I), wherein R1 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy; R2 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy or pyrrolidin-1-yl; R3 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy, vinyl or 2-methoxycarbonyvinyl or R2 and R3 together with the two carbon atoms which bear them form a phenyl ring; R4 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy; and R5 is H, (C1-C3)alkyl or cyclopropyl, or R4 and R5form together a —CH2CH2CH2— group; A is the divalent group —CH2—, —CH2CH2—, #—CH(OH)CH2—*, #—CH2N(R6)—* and —CH2NHCH2—, wherein # indicates the point of attachment to the optionally substituted (quinazoline-2,4-dione-3-yl)methyl residue and * represents the point of attachment to the substituted (oxazolidinon-4-yl)methyl residue; R6 is H or acetyl; Y is CH or N; and Q is O or S; and salts of such compounds.

  本发明涉及式(I)的抗菌化合物，其中R1为H、卤素、(C1-C3)烷基或(C1-C3)烷氧基；R2为H、卤素、(C1-C3)烷基、(C1-C3)烷氧基或吡咯烷-1-基；R3为H、卤素、(C1-C3)烷基、(C1-C3)烷氧基、乙烯基或2-甲氧羰基乙烯基，或R2和R3与它们所带的两个碳原子形成苯环；R4为H、卤素、(C1-C3)烷基或(C1-C3)烷氧基；R5为H、(C1-C3)烷基或环丙基，或R4和R5共同形成— —基团；A为二价基团—CH2—、— —、#—CH(OH) —*、#— N(R6)—*和— NH —，其中#表示连接到可选取代的(喹唑啉-2,4-二酮-3-基)甲基残基的连接点，*表示连接到取代的(噁唑烷-4-基)甲基残基的连接点；R6为H或乙酰基；Y为CH或N；Q为O或S；以及这些化合物的盐。