DL-alanine butyl ester | 44924-99-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: DL-alanine butyl ester
• 英文别名: DL-2-Amino-propionsaeure-butylester；DL-Alanin-butylester；Alanin-butylester；Butyl 2-aminopropanoate
• CAS: 44924-99-4
• 化学式: C₇H₁₅NO₂
• mdl: MFCD11625306
• 分子量: 145.202
• InChiKey: RJJXSCQQRYCPLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  DL-alanine butyl ester 在 盐酸 作用下， 反应 35.0h， 生成 DL-丙氨酸
  参考文献：
  名称：

  Substitution of halogen atom in ?-halonitro compounds of the aliphatic series

  摘要：

  Ethyl alpha-halo-alpha-nitropropionate and -butyrate were prepared by alkylating ammonium salts of ethyl bromo- and chloronitroacetates. The addition of alkyl acrylates to alkyl chloronitroacetates or their salts gives dialkyl alpha-chloro-alpha-nitroglutarates. Sodium salts of ethyl alpha-nitro-alpha-sulfo-beta-hydroxypropionate and -butyrate were obtained by the sulfo-dehalogenation of ethyl alpha-chloro-alpha-nitro-beta-hydroxypropionate and -butyrate with sodium dithionite. Esters of a-amino acid hydrochlorides were prepared by the reduction of alkyl alpha-chloro-alpha-nitrocarboxylates. The hydrogenation of alkyl nitrosulfoacetates leads to the corresponding disodium salts of alkyl aminodisulfoacetates and piperazine-2,5-dione.

  DOI：

  10.1007/bf00717345
• 作为产物：
  描述：

  2-硝基丙酸丁酯 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以59%的产率得到DL-alanine butyl ester
  参考文献：
  名称：

  Substitution of halogen atom in ?-halonitro compounds of the aliphatic series

  摘要：

  Ethyl alpha-halo-alpha-nitropropionate and -butyrate were prepared by alkylating ammonium salts of ethyl bromo- and chloronitroacetates. The addition of alkyl acrylates to alkyl chloronitroacetates or their salts gives dialkyl alpha-chloro-alpha-nitroglutarates. Sodium salts of ethyl alpha-nitro-alpha-sulfo-beta-hydroxypropionate and -butyrate were obtained by the sulfo-dehalogenation of ethyl alpha-chloro-alpha-nitro-beta-hydroxypropionate and -butyrate with sodium dithionite. Esters of a-amino acid hydrochlorides were prepared by the reduction of alkyl alpha-chloro-alpha-nitrocarboxylates. The hydrogenation of alkyl nitrosulfoacetates leads to the corresponding disodium salts of alkyl aminodisulfoacetates and piperazine-2,5-dione.

  DOI：

  10.1007/bf00717345

文献信息

• [EN] HCV POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA POLYMÉRASE DU VHC
  申请人：MEDIVIR AB

  公开号：WO2015056213A1

  公开（公告）日：2015-04-23

  The invention provides compounds of the formula (I) wherein B is a nucleobase selected from the groups (a) to (d): and the other variables are as defined in the claims, which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  这项发明提供了公式（I）中的化合物，其中B是从（a）到（d）组中选择的核碱基：其他变量如索权中所定义，这些化合物可用于治疗或预防丙型肝炎病毒感染及相关方面。
• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040121316A1

  公开（公告）日：2004-06-24

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定含有羧酸酯或磷酸酯基团抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶筛选这类化合物的文库。还提供了与GS-7340酯水解酶相关的组合物和方法。
• [EN] PHENYL INDAN DERIVATIVES<br/>[FR] DERIVES DE PHENYLE INDANE
  申请人：LUNDBECK & CO AS H

  公开号：WO2005087708A1

  公开（公告）日：2005-09-22

  This invention relates to novel compounds which are glycine transporter inhibitors and as such effective in the treatment of disorders in the CNS, such as schizophrenia.

  这项发明涉及一类新颖的化合物，这些化合物是甘氨酸转运蛋白抑制剂，因此对于治疗中枢神经系统疾病，如精神分裂症等，是有效的。
• [EN] DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER<br/>[FR] ANALOGUES DIOXOLANE D'URIDINE POUR LE TRAITEMENT DU CANCER
  申请人：MEDIVIR AB

  公开号：WO2016030335A1

  公开（公告）日：2016-03-03

  The invention provides compounds of formula (I), wherein: R1 is OR11, or NR5R5'; R2 is H or F; R5 is H, C1-C6alkyl, OH, C(=O)R6, O(C=O)R6 or O(C=O)OR6; R5´ is H or C1-C6alkyl; R6 is C1-C6alkyl or C3-C7cycloalkyl; R13 is H, phenyl, pyridyl, benzyl, indolyl or naphthyl wherein the phenyl, pyridyl, benzyl, indolyl and naphthyl is optionally substituted with 1, 2 or 3 R22; and the other variables are as defined in the claims, which are of use in the treatment of cancer, and related aspects.

  这项发明提供了式(I)的化合物，其中：R1为OR11或NR5R5'；R2为H或F；R5为H、C1-C6烷基、OH、C(=O)R6、O(C=O)R6或O(C=O)OR6；R5´为H或C1-C6烷基；R6为C1-C6烷基或C3-C7环烷基；R13为H、苯基、吡啶基、苄基、吲哚基或萘基，其中苯基、吡啶基、苄基、吲哚基和萘基可选择地被1、2或3个R22取代；其他变量如索权中所定义，用于癌症治疗及相关方面。
• [EN] TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF<br/>[FR] POLYMÈRES MODIFIÉS EN EXTRÉMITÉ ET LEURS CONJUGUÉS
  申请人：MERSANA THERAPEUTICS INC

  公开号：WO2014008375A1

  公开（公告）日：2014-01-09

  A terminally modified polymer is provided herein. At least one terminus of the polymer is -O-(CH2)2-LM or -O-CH2-CH(OH)-CH2-CR1=CR2R3. LM, R1, R2, and R3 are defined herein Also disclosed are terminal conjugates comprising the polymer and a pharmaceutically useful modifier, as well as compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions.

  本文提供了一种终端修饰的聚合物。聚合物的至少一个末端是-O-(CH2)2-LM或-O-CH2-CH(OH)-CH2-CR1=CR2R3。LM、R1、R2和R3在此处有定义。还披露了包括聚合物和药用修饰剂的终端共轭物，以及包括这些共轭物的组合物、它们的制备方法以及使用这些共轭物或它们的组合物治疗各种疾病的方法。