4-[(1Z,3Z)-4-(4-羟基苯基)-2,3-二异氰基丁-1,3-二烯基]苯-1,2-二醇 | 11028-15-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 中文名称: 4-[(1Z,3Z)-4-(4-羟基苯基)-2,3-二异氰基丁-1,3-二烯基]苯-1,2-二醇
• 英文名称: Xanthocillin Y 1
• 英文别名: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
• CAS: 11028-15-2；38965-69-4
• 化学式: C18H12N2O3
• 分子量: 304.3
• InChiKey: ZEVJVXZODXFQEV-VULZFCBJSA-N

物化性质

• 沸点：
  445.13°C (rough estimate)
• 密度：
  1.3014 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.4
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2926909090

文献信息

• Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them
  申请人：INTERx RESEARCH CORPORATION

  公开号：EP0046270A1

  公开（公告）日：1982-02-24

  Novel transient prodrug forms of bio-affecting phenolic compounds are selected from the group consisting of those having the structural formula (I): wherein X is O, S or NR5 wherein R5 is hydrogen or lower alkyl; R1 is the mono- or polydehydroxylated residue of a non-steroidal bio-affecting phenol, with the proviso that R' is other than a monohydroxylated or didehydroxylated residue of a phenolic, nuclear dihydroxy natural sympathetic or sympathomimetic amine; R2 is selected from the group consisting of straight or branched chain alkyl, aryl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aralkyl, alkaryl, aralkenyl, aralkynyl, alkenylaryl, alkynylaryl, (lower acyloxy)alkyl, and carboxyalkyl; 3- to 8-membered, saturated or unsaturated mono-heterocyclic or polyheterocyclic containing from 1 to 3 of any one or more of the heteroatoms N, S or O; and mono- or polysubstituted derivatives of the above; R3 is hydrogen, lower acyl, cyano, halo(lower alkyl), carbamyl, lower alkylcarbamyl, di(lower alkyl)carbamyl, CH2ONO2, -CH2OCOR2 or any non-heterocyclic member of the group defined by R2 above; and n is at least one and equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol etherified via a R2COXCH(R3)0-moiety; those having the structural formula (II): wherein X, R', R2 and R3 are as defined above, and n and m are each at least one and the sum of n+m equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol either etherified via a R2COXCH(R3)0-moiety or esterified via a R2COO-moiety; and the pharmaceutically acceptable acid addition salts, quaternary ammonium salts and N-oxides thereof.

  生物效应酚类化合物的新型瞬效原药形式选自具有结构式(I)的化合物组成的组： 其中 X 是 O、S 或 NR5，其中 R5 是氢或低级烷基；R1 是非类固醇生物效应酚的单羟基或多羟基残基，但 R' 不是酚、核二羟基天然交感胺或拟交感胺的单羟基或双羟基残基；R2 选自直链或支链烷基、芳基、环烷基、烯基、环烯基、炔基、芳烷基、烷芳基、芳烯基、芳炔基、烯芳基、炔芳基、（低级酰氧基）烷基和羧基烷基组成的组；R3 是氢、低级酰基、氰基、卤代（低级烷基）、氨甲酰基、低级烷基氨甲酰 基、二（低级烷基）氨甲酰基、CH2ONO2、-CH2OCOR2 或上述 R2 定义的基团中的任何非杂环成员；且 n 至少为 1，等于通过 R2COXCH(R3)0 子代醚化的非甾体生物作用酚所包含的酚羟基官能团的总数；具有结构式（II）的酚羟基官能团： 其中 X、R'、R2 和 R3 如上文所定义，n 和 m 至少各为 1，且 n+m 之和等于非甾体类生物效应酚通过 R2COXCH(R3)0 子键醚化或通过 R2COO 子键酯化的酚羟基官能团的总数；及其药学上可接受的酸加成盐、季铵盐和 N-氧化物。
• THROMBOPOETIN RECEPTOR ACTIVATOR AND PROCESS FOR PRODUCING THE SAME
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1552828A1

  公开（公告）日：2005-07-13

  A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): [wherein each of R1 and R3 is independently a hydrogen atom, SO3H, a C1-6 alkyl group, a C1-6 alkylcarbonyl group or a C6-18 arylcarbonyl group (the C1-6 alkyl group, the C1-6 alkylcarbonyl group and the C6-18 arylcarbonyl group may be optionally substituted with a halogen atom, a hydroxyl group, a C2-6 alkenyl group, a C1-6 alkoxy group, a C1-6 alkoxycarbonyl group, a C6-18 aryl group, a 2-pyridyl group, a 3-pyridyl group, a 4-pyridyl group, a 2-furanyl group, a 3-furanyl group, a 2-thienyl group, a 3-thienyl group or NR9R10), and each of R2, R4 and Ra is independently a hydrogen atom, a hydroxyl group or a C1-6 alkoxy group].

  一种对激活血小板生成素受体有效的疾病的预防、治疗或改善药物，或一种血小板增加剂，其中含有由式(1)代表的血小板生成素受体激活剂： C1-6烷氧基、C1-6烷氧羰基、C6-18芳基、2-吡啶基、3-吡啶基、4-吡啶基、2-呋喃基、3-呋喃基、2-噻吩基、3-噻吩基或 NR9R10），且 R2、R4 和 Ra 各自独立地为氢原子、羟基或 C1-6 烷氧基]。
• Thrombopoetin receptor activator and process for producing the same
  申请人：Miyaji Katsuaki

  公开号：US20050282730A1

  公开（公告）日：2005-12-22

  A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): [wherein each of R 1 and R 3 is independently a hydrogen atom, SO 3 H, a C 1-6 alkyl group, a C 1-6 alkylcarbonyl group or a C 6-18 arylcarbonyl group (the C 1-6 alkyl group, the C 1-6 alkylcarbonyl group and the C 6-18 arylcarbonyl group may be optionally substituted with a halogen atom, a hydroxyl group, a C 2-6 alkenyl group, a C 1-6 alkoxy group, a C 1-6 alkoxycarbonyl group, a C 6-18 aryl group, a 2-pyridyl group, a 3-pyridyl group, a 4-pyridyl group, a 2-furanyl group, a 3-furanyl group, a 2-thienyl group, a 3-thienyl group or NR 9 R 10 ) , and each of R 2 , R 4 and R a is independently a hydrogen atom, a hydroxyl group or a C 1-6 alkoxy group].
• US7851503B2
  申请人：——

  公开号：US7851503B2

  公开（公告）日：2010-12-14