(4-nitrooxy)-butanoic acid 1-[(1-methylethyl)amino]-3-(1-naphthalenoxy)-2-propyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-nitrooxy)-butanoic acid 1-[(1-methylethyl)amino]-3-(1-naphthalenoxy)-2-propyl ester
• 英文别名: [1-Naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate
• 化学式: C₂₀H₂₆N₂O₆
• 分子量: 390.436
• InChiKey: NKRROMODVXWULK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Pharmaceutical compounds
  申请人：Del Soldato Piero

  公开号：US20070197499A1

  公开（公告）日：2007-08-23

  Compounds or their salts of general formula (I): A-B—N(O) s wherein: s is an integer equal to 1 or 2; A=R-T 1 -, wherein R is the drug radical and T 1 =(CO) t or (X) t′ , wherein X═O, S, NR 1c , R 1c is H or a linear or branched alkyl or a free valence, t and t′ are integers and equal to zero or 1, with the proviso that t=1 when t′=0; t=0 when t′=1; B=-T B -X 2 —O—wherein T B =(CO) when t=0, T B =X when t′=0, X being as above defined; X 2 is equal to R 1B—X—R 2B radical wherein X is as above defined, R 1B and R 2B , equal to or different from each other, are linear or branched C 1 -C 6 alkylenes, or X 2 is a radical wherein two alkylene chains C 1 -C 4 are linked to nonadjacent positions of a central ring having 4 or 6 atoms, said ring being an unsaturated cycloaliphatic ring, or a saturated or aromatic heterocylic ring, containing one or two heteroatoms, equal or different, selected from O, S, N; wherein the unsaturated cycloaliphatic ring does not have aromatic character according to Huckel's rule.

  通式(I)的化合物或其盐：A-B-N（O）s其中：s是等于1或2的整数；A = R-T1-，其中R为药物基团，T1 =（CO）或（X）t'，其中X = O，S，NR1c，R1c是H或线性或支链烷基或自由价，t和t'是整数，等于零或1，但前提是当t' = 0时，t = 1；当t' = 1时，t = 0；B = -TB-X2-O-，其中TB =（CO）当t = 0时，TB = X当t' = 0时，X如上定义；X2等于R1B-X-R2B基团，其中X如上定义，R1B和R2B相等或不同，是线性或支链C1-C6烷基，或X2是基团，其中两个C1-C4烷基链连接到具有4或6个原子的中心环的非相邻位置，该环是不饱和的环状脂肪族环，或饱和的或芳香的杂环，包含一个或两个异原子，相同或不同，从O，S，N中选择；其中不饱和的环状脂肪族环不具有根据Huckel法则的芳香性质。
• Pharmaceutical Compounds
  申请人：SOLDATO Piero Del

  公开号：US20090170941A1

  公开（公告）日：2009-07-02

  Compounds or their salts of general formula (I): A-B—N(O) s wherein: s is an integer equal to 1 or 2; A=R-T 1 -, wherein R is the drug radical and T 1 =(CO) t or (X) t′ , wherein X=O, S, NR 1c , R 1c is H or a linear or branched alkyl or a free valence, t and t′ are integers and equal to zero or 1, with the proviso that t=1 when t′=0; t=0 when t′=1; B=-T B -X 2 —O— wherein T B =(CO) when t=0, T B =X when t′=0, X being as above defined; X 2 is equal to R 1B —X—R 2B radical wherein X is as above defined, R 1B and R 2B , equal to or different from each other, are linear or branched C 1 -C 6 alkylenes, or X 2 is a radical wherein two alkylene chains C 1 -C 4 are linked to nonadjacent positions of a central ring having 4 or 6 atoms, said ring being an unsaturated cycloaliphatic ring, or a saturated or aromatic heterocylic ring, containing one or two heteroatoms, equal or different, selected from O, S, N; wherein the unsaturated cycloaliphatic ring does not have aromatic character according to Huckel's rule.

  通式（I）的化合物或其盐：A-B-N（O）s，其中：s是等于1或2的整数；A=R-T1-，其中R是药物基团，T1=（CO）或（X）t′，其中X=O、S、NR1c、R1cis H或线性或支链烷基或自由价，t和t′是整数且等于零或1，但是当t′=0时，t=1；当t′=1时，t=0；B=-TB-X2-O-，其中TB=（CO）当t=0时，TB=X当t′=0时，X如上定义；X2等于R1B-X-R2Bradical，其中X如上定义，R1B和R2B，相等或不同于彼此，是线性或支链C1-C6烷基，或X2是一个基团，其中两个C1-C4烷基链连接到一个中心环的非相邻位置，该环具有4或6个原子，该环是一个不饱和的环状脂肪环，或者是一个含有一个或两个异原子的饱和或芳香族杂环，相同或不同，所选异原子为O、S、N；其中，不饱和的环状脂肪环不具有根据Huckel规则的芳香性。
• Nitric esters derivatives of ferulic acid and sulindac with pharmaceutical activity
  申请人：Nicox S.A

  公开号：EP1593664A1

  公开（公告）日：2005-11-09

  Compounds or their salts of general formula (I): A-B-N(O)2 wherein: A is a drug radical selected from ferulic acid and sulindac; B= -O-R1B-X-R2B-O- wherein R1B and R2B, equal to or different from each other, are linear or branched C1-C6 alkylenes, and X = a free valence or O, S, NR1C, R1C is H or a linear or branched alkyl, having from 1 to 6 carbon atoms.

  通式(I)的化合物或其盐类：A-B-N(O)2 其中： A 是选自阿魏酸和舒林酸的药物自由基； B= -O-R1B-X-R2B-O- 其中 R1B 和 R2B，彼此相同或不同，是线性或支链 C1-C6 烷基，以及 X = 自由价或 O、S、NR1C，R1C 是 H 或具有 1 至 6 个碳原子的直链或支链烷基。
• PHARMACEUTICAL COMPOUNDS
  申请人：NicOx S.A.

  公开号：EP1252133B1

  公开（公告）日：2005-06-08
• US7186753B1
  申请人：——

  公开号：US7186753B1

  公开（公告）日：2007-03-06