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(2S)-2-amino-4-methylpentanoic acid;dihydrochloride

中文名称
——
中文别名
——
英文名称
(2S)-2-amino-4-methylpentanoic acid;dihydrochloride
英文别名
——
(2S)-2-amino-4-methylpentanoic acid;dihydrochloride化学式
CAS
——
化学式
C6H15Cl2NO2
mdl
——
分子量
204.09
InChiKey
SSEXYOAJXGBEPB-XRIGFGBMSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.29
  • 重原子数:
    11
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.83
  • 拓扑面积:
    63.3
  • 氢给体数:
    4
  • 氢受体数:
    3

文献信息

  • Prodrugs of urolithins and uses thereof
    申请人:Amazentis SA
    公开号:US11180468B2
    公开(公告)日:2021-11-23
    The invention provides compounds of formula (I) or salts thereof: wherein: A, B, C, D, W, X, Y and Z are as defined in the specification, and at least one of A, B, C, D, W, X, Y and Z is OR1; each R1 being independently H or C(═O)R2, and at least one R1 group being C(═O)R2; where each R2 is selected from: CHR3NHR4, where R4 is H and R3 is a group selected from CH3, CH2CH(CH3)2, CH(CH3)CH2CH3, CH2Ph, CH2-3-(1H-indole), CH2CH2SCH3, CH2OH, CHOHCH3, CH2SH, CH2SeH and CH2PhpOH, wherein said R3 group can optionally be substituted by one or more groups selected from halogen, cyano, nitro, ORA or C1-C4 alkyl; or R3 and R4 together with the C and N atoms to which they are attached form a 5-membered heteroalkyl ring, wherein said heteroalkyl ring can optionally be substituted by one or more groups selected from halogen, cyano, nitro, ORA or C1-C3 alkyl, wherein RA is C1-C4 alkyl optionally substituted with one or more halogen, cyano or nitro groups. The compounds are effective pro-drugs for urolithins and they enable the ready delivery of urolithins to the site in the digestive tract where they can be absorbed into the body.
    本发明提供了式 (I) 化合物或其盐类: 其中 A、B、C、D、W、X、Y 和 Z 如说明书中所定义,且 A、B、C、D、W、X、Y 和 Z 中至少有一个是 OR1;每个 R1 独立地为 H 或 C(═O)R2,且至少有一个 R1 基团为 C(═O)R2;其中每个 R2 选自: CHR3NHR4,其中 R4 为 H,R3 为选自 CH3、 CH( )2、CH( ) 、 Ph、CH2-3-(1H-吲哚)、 S 、 OH、CHOH 、 SH、 SeH 和 PhpOH 的基团、 其中所述 R3 基团可任选被一个或多个选自卤素、基、硝基、ORA 或 C1-C4 烷基的基团取代; 或 R3 和 R4 与它们所连接的 C 原子和 N 原子一起形成一个 5 元杂烷基环,其中所述杂烷基环可任选被一个或多个选自卤素、基、硝基、ORA 或 C1-C3 烷基的基团取代、 其中 RA 是被一个或多个卤素、基或硝基任选取代的 C1-C4 烷基。 这些化合物是有效的尿石素原药,可将尿石素直接输送到消化道中可被人体吸收的部位。
  • [EN] PRODRUGS OF UROLITHINS AND USES THEREOF<br/>[FR] PRODROGUES D'UROLITHINES ET LEURS UTILISATIONS
    申请人:AMAZENTIS SA
    公开号:WO2015097231A9
    公开(公告)日:2015-12-10
  • PRODRUGS OF UROLITIHNS AND USES THEREOF
    申请人:Amazentis SA
    公开号:EP3087064B1
    公开(公告)日:2021-09-15
  • PRAME PURIFICATION
    申请人:Germay Olivier C
    公开号:US20140234424A1
    公开(公告)日:2014-08-21
    Methods and processes for the purification of PRAME are provided. In particular, methods for reducing the aggregation of PRAME during a diluent exchange from diluent A to diluent B comprising: (i) adding a polyanionic compound to diluent A prior to or contemporaneously with the exchange; and (ii) exchanging protein from diluent A to diluent B are provided. Compositions produced by the method are also provided.
  • Prodrugs Of Urolithins And Uses Thereof
    申请人:AMAZENTIS SA
    公开号:US20160332982A1
    公开(公告)日:2016-11-17
    The invention provides compounds of formula (I) or salts thereof: wherein: A, B, C, D, W, X, Y and Z are as defined in the specification, and at least one of A, B, C, D, W, X, Y and Z is OR 1 ; each R 1 being independently H or C(═O)R 2 , and at least one R 1 group being C(═O)R 2 ; where each R 2 is selected from: CHR 3 NHR 4 , where R 4 is H and R 3 is a group selected from CH 3 , CH 2 CH(CH 3 ) 2 , CH(CH 3 )CH 2 CH 3 , CH 2 Ph, CH 2 -3-(1H-indole), CH 2 CH 2 SCH 3 , CH 2 OH, CHOHCH 3 , CH 2 SH, CH 2 SeH and CH 2 PhpOH, wherein said R 3 group can optionally be substituted by one or more groups selected from halogen, cyano, nitro, OR A or C 1 -C 4 alkyl; or R 3 and R 4 together with the C and N atoms to which they are attached form a 5-membered heteroalkyl ring, wherein said heteroalkyl ring can optionally be substituted by one or more groups selected from halogen, cyano, nitro, OR A or C 1 -C 3 alkyl, wherein R A is C 1 -C 4 alkyl optionally substituted with one or more halogen, cyano or nitro groups. The compounds are effective pro-drugs for urolithins and they enable the ready delivery of urolithins to the site in the digestive tract where they can be absorbed into the body.
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