rac-(3-fluoro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-4-ylmethyl)-carbamic acid tert-butyl ester | 1220978-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: rac-(3-fluoro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-4-ylmethyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]carbamate
• CAS: 1220978-39-1
• 化学式: C₁₆H₁₈FN₃O₃
• 分子量: 319.336
• InChiKey: PXXKPIRDHDCZFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [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。
• TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS
  申请人：HUBSCHWERLEN Christian

  公开号：US20140142093A1

  公开（公告）日：2014-05-22

  The present 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 cyano, alkyl, or ethynyl; U is CH or N when “----” is a bond, or, if “----” is absent, U is CH 2 , NH or NH 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.

  本发明涉及式（I）的抗菌化合物，其中“----”是键或不存在，V是CH，CR6或N；R0是H或，如果“----”是键，则也可以是烷氧基；R1是氰基，烷基或乙炔基；当“----”是键时，U是CH或N，如果“----”不存在，则U是CH2，NH或NH9；R2是H，烷基羰基或 —R3；R3是H，烷基或羟基烷基；R4是H或，如果n不为0且R5是H，则也可以是OH；R5是H，烷基，羟基烷基，氨基烷基，烷氧基烷基，羧基或烷氧羰基；R6是羟基烷基，羧基，烷氧羰基或—（ ）q—NR7R8，其中q为1、2或3，每个R7和R8独立地为H或烷基，或R7和R8与它们所带的N原子形成环；R9是烷基或羟基烷基；A是—（ ）p—，— CH（OH）—或—CO CH（OH）—；G是取代苯基或G1或G2，其中Q为O或S，X为CH或N；Y1、Y2和Y3可以各自是CH或N；当A为— CH（OH）—或—CO CH（OH）—时，n为0，当A为—（ ）p—时，n为0、1或2，p为1、2、3或4，但总和n和p为2、3或4；以及这些化合物的盐。
• US9346804B2
  申请人：——

  公开号：US9346804B2

  公开（公告）日：2016-05-24
• US9822114B2
  申请人：——

  公开号：US9822114B2

  公开（公告）日：2017-11-21