他达拉非杂质63 | 21753-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 他达拉非杂质63
• 英文名称: DL-5-indolylmethylhydantoin
• 英文别名: 5-(3-Indolylmethyl)hydantoin；Tryptophan-hydantoin；5-(1h-Indol-3-ylmethyl)imidazolidine-2,4-dione
• CAS: 21753-16-2
• 化学式: C₁₂H₁₁N₃O₂
• mdl: MFCD01850992
• 分子量: 229.238
• InChiKey: RUUREKIGAKIKIL-UHFFFAOYSA-N

物化性质

• 熔点：
  218 °C
• 密度：
  1.393±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（微溶）、甲醇（微溶、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  74
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  他达拉非杂质63 以 水 为溶剂， 反应 16.0h， 以96.3%的产率得到L-色氨酸
  参考文献：
  名称：

  Yokozeki, Kenzo; Sano, Konosuke; Eguchi, Chikahiko, Agricultural and Biological Chemistry, 1987, vol. 51, # 2, p. 363 - 370

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(3-indolylmethylene)hydantoin 在 sodium hydroxide 、 镍 作用下， 生成 他达拉非杂质63
  参考文献：
  名称：

  Elks et al., Journal of the Chemical Society, 1944, p. 629,631

  摘要：

  DOI：

文献信息

• Method for producing lysine derivative
  申请人：AJINOMOTO CO., INC.

  公开号：US20020042537A1

  公开（公告）日：2002-04-11

  The present invention provides a method for industrially producing an optically active lysine derivative useful as a pharmaceutical intermediate. More particularly, the present invention provides a production method including protecting an amino group or an amino group and carboxyl group of optically active 2-amino-6-methyl-6-nitroheptanoic acid with a protecting group, reducing a nitro group to synthesize a 6,6-dimethyl lysine derivative and reacting the 6,6-dimethyl lysine derivative with an acetic acid derivative.

  本发明提供一种用作制药中间体的光学活性赖氨酸衍生物的工业生产方法。更具体地，本发明提供一种生产方法，包括保护光学活性2-氨基-6-甲基-6-硝基庚酸的氨基或氨基和羧基与保护基结合，还包括还原硝基以合成6,6-二甲基赖氨酸衍生物，以及将6,6-二甲基赖氨酸衍生物与乙酸衍生物发生反应。
• Inhibitors of cellular necrosis
  申请人：Cuny D. Gregory

  公开号：US20050119260A1

  公开（公告）日：2005-06-02

  The present invention relates to compounds and pharmaceutical preparations and their use in therapy for preventing or treating trauma, ischemia, stroke and degenerative diseases associated with cell death. Methods and compositions of the invention are particularly useful for treating neurological disorders associated with cellular necrosis.

  本发明涉及化合物、药物制剂及其在预防或治疗与细胞死亡相关的创伤、缺血、中风和退行性疾病中的应用的治疗。本发明的方法和组合物特别适用于治疗与细胞坏死相关的神经系统疾病。
• Derivatives of 5-(indol-3-yl)hydantoin
  申请人：Miles Laboratories, Inc.

  公开号：US04110536A1

  公开（公告）日：1978-08-29

  Derivatives of 5-(indol-3-yl)hydantoin characterized by the generic structural formula, ##STR1## and their pharmacologically compatible salts are useful in the treatment of cardiac arrythmias in individuals for whom such therapy is indicated. In the preceding structural formula, A is a hydrogen atom, a halogeno, alkyl, hydroxyl, or an alkoxyl radical; n is 0 or 1; R is a hydrogen atom or a phenyl group; X is a methylene, ethylene, trimethylene, or 2-hydroxytrimethylene radical; and Z is a monoalkylamino radical containing 1-4 carbon atoms, a dialkylamino radical containing 2-8 carbon atoms, a morpholino, piperid-1-yl, 4-phenyl-piperid-1-yl, or a 4-hydroxy-4-phenyl-piperid-1-yl radical.

  5-(indol-3-yl)hydantoin的衍生物具有通用结构式##STR1##，其药理学兼容的盐在需要此类治疗的个体中用于治疗心律失常。在上述结构式中，A是氢原子，卤素基，烷基，羟基或烷氧基；n为0或1；R是氢原子或苯基；X是亚甲基，乙烯基，三亚甲基或2-羟基三亚甲基基团；Z是含有1-4个碳原子的单烷基氨基基团，含有2-8个碳原子的双烷基氨基基团，吗啡啶基，哌啶-1-基，4-苯基哌啶-1-基或4-羟基-4-苯基哌啶-1-基基团。
• DNA for encoding D-hydantoin hydrolases, DNA for encoding N-carbamyl-D-amino acid hydrolases, recombinant DNA containing the genes, cells transformed with the recombinant DNA, methods for producing proteins utilizing the transformed cells and methods for producing D-amino acids
  申请人：Ajinomoto Co., Inc.

  公开号：US20030113880A1

  公开（公告）日：2003-06-19

  DNA for encoding a protein having D-hydantoinase activity which has a base sequence represented by Sequence ID No. 1 in the Sequence Listing. DNA for encoding a protein having D-carbamylase activity which has a base sequence represented by Sequence ID No. 3 in the Sequence Listing.

  编码具有D-咪唑酮酸酶活性的蛋白质的DNA，其碱基序列由序列编号为1的序列清单中的序列表示。编码具有D-氨基甲酰酶活性的蛋白质的DNA，其碱基序列由序列编号为3的序列清单中的序列表示。
• Method for producing an optically active amino acid
  申请人：Nozaki Hiroyuki

  公开号：US20050214912A1

  公开（公告）日：2005-09-29

  A method for producing an optically active amino acid comprising contacting a 5-substituted hydantoin with a group of enzymes including both a hydantoinase and a carbamoylase, wherein the method is carried out in an aqueous solution with a dissolved oxygen concentration of 1.5 ppm or less. Optically active amino acids such as D-tyrosine may be produced with high efficiency.

  一种制备光学活性氨基酸的方法，包括将5-取代的海因氨酸与一组酶接触，其中包括海因氨酸酶和氨基甲酰酶，该方法在水溶液中进行，其溶解氧浓度为1.5 ppm或更低。可以高效地生产光学活性氨基酸，例如D-酪氨酸。