N,N-bis(carboxymethyl(+H))-R-alanine | 29578-06-1

• 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: N,N-bis(carboxymethyl(+H))-R-alanine
• 英文别名: R-BCMAL(2H)；D-Alanin-N,N-diessigsaeure；(D)-Alanin-N,N-diessig；(2R)-2-[bis(carboxymethyl)amino]propanoic acid
• CAS: 29578-06-1
• 化学式: C₇H₁₁NO₆
• 分子量: 205.167
• InChiKey: CIEZZGWIJBXOTE-SCSAIBSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(RuCl2(2,2'-bipyridine))2Cl2]*0.5H2O 、 potassium chloride 、 N,N-bis(carboxymethyl(+H))-R-alanine 在 Et₃N 作用下， 以 乙醇 为溶剂， 生成 K[Ru(2,2'-bipyridine)(N,N-bis(carboxymethyl)-R-alanine)]
  参考文献：
  名称：

  Probing electron transfer reactions between two azurins from Alcaligenes xylosoxidans GIFU 1051 with optically active Ru complexes as molecular recognition probes: Importance of the 43rd residue

  摘要：

  Electron transfer reactions between optically-active Ru-II/III complexes incorporating (S)-/(R)-amino acids, and the two azurins, azurin-1 (az-1Cu) and azurin-2 (az-2Cu) isolated from Alcaligenes xylosoxidans GIFU 1051, have been studied to probe molecular recognition sites on the two azurins. The Ru-II/III complexes are K[Ru-II(L)(bpy)] and [Ru-III(L)(bpy)], and have a tripodal ligand (L) derived from the (S)-/(R)-amino acids, which are in turn exchanged for other functional substituent groups, such as (S)-/(R)-phenylaianine, -leucine, -valine, -alanine, and -glutamic acid (L = (S)-/(R)-BCMPA, -BCMLE, -BCMVA, -BCMAL, and -BCMGA). In the oxidation reaction of az-1Cu(1) promoted by the Ru-III complexes, the kinetic parameters exhibited enantio- and stereo-selectivities, while the same reaction of az-2Cu(1) was less enantio- and stereo-selective. These differences suggest that the processes of formation of the activated states are different for the two azurins. On the other hand, such a difference has not been observed for az-1 and az-2 with respect to the reduction reactions promoted by both azurins Cull by the Ru-II complexes within the experimental error. This suggests that the neutrality of the Ru complexes is important for precise molecular recognition of azurins. His 117 has been proposed as the electron transfer site. The local structures in the vicinity of the His 117 side chain in the two azurins, are essentially identical with the exception of the 43rd residue, Va143 and Ala43 for az-1 and az-2, respectively. Electron transfer reactions between Ru-III complexes and a mutant azurin, V43A-az-1, were also carried out. Interestingly, the activation parameters estimated were very similar to those of az-2, indicating that the 43rd residue acts as the electron transfer site in azurins and provides rationalization for the different mechanisms of az-1 and az-2 in redox reactions. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.08.033
• 作为产物：
  描述：

  D-丙氨酸 、 氯乙酸 在 lithium hydroxide 作用下， 生成 N,N-bis(carboxymethyl(+H))-R-alanine
  参考文献：
  名称：

  (L-或D-丙氨酸-N,N-二乙酸根)(氨基酸-酸根)钴(III)配合物的反式(N)和顺式(N)异构体的制备和圆二色性

  摘要：

  八种新的复合物，即（L-或 D-丙氨酸-N,N-二乙酸根）（氨基酸根合）钴酸（III）离子的反式（N）或顺式（N）异构体，已被合成为其钾盐，其中氨基酸是甘氨酸、L-丙氨酸和L-脯氨酸。根据配位的氮和氧原子的几何排列以及含有配位的丙氨酸-N,N-二乙酸根离子的甲基的螯合环的位置，确定了有限数量的异构体的立体选择性形成根据离子交换柱色谱、质子磁共振和圆二色光谱的研究结果。对于没有构型手性的配合物，已经讨论了配合物中两种不同光学活性配体的邻圆二色性贡献的可加性。

  DOI：

  10.1246/bcsj.43.1737

文献信息

• [EN] 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES<br/>[FR] DERIVES DE 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE RENINE DANS LE TRAITEMENT DE L'HYPERTENSION, DE MALADIES CARDIOVASCULAIRES OU RENALES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2003093267A1

  公开（公告）日：2003-11-13

  The invention relates to novel 3,9-diazabicyclo[3.3.1]nonene derivatives of formula (I) and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors or renin.

  该发明涉及新型3,9-二氮杂双环[3.3.1]壬烯衍生物（I）及相关化合物，以及它们作为药物组合物中活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有这些化合物中的一个或多个的药物组合物，尤其是它们作为肾素抑制剂的用途。
• 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1501830A1

  公开（公告）日：2005-02-02
• COSMETIC COMPOSITION COMPRISING THE COMBINATION OF A LIPOPHILIC SALICYLIC ACID DERIVATIVE, AN ANTIPERSPIRANT ALUMINIUM SALT OR COMPLEX AND AN AMINO ACID-N,N-DIACETIC ACID SALT
  申请人：L'Oréal

  公开号：EP2854747A2

  公开（公告）日：2015-04-08
• US8367748B2
  申请人：——

  公开号：US8367748B2

  公开（公告）日：2013-02-05
• [EN] COSMETIC COMPOSITION COMPRISING THE COMBINATION OF A LIPOPHILIC SALICYLIC ACID DERIVATIVE, AN ANTIPERSPIRANT ALUMINIUM SALT OR COMPLEX AND AN AMINO ACID-N,N-DIACETIC ACID SALT<br/>[FR] COMPOSITION COSMÉTIQUE COMPRENANT LA COMBINAISON D'UN DÉRIVÉ LIPOPHILE D'ACIDE SALICYLIQUE, D'UN SEL OU D'UN COMPLEXE D'ALUMINIUM ANTITRANSPIRANT ET D'UN SEL D'ACIDE (ACIDE AMINÉ)-N,N-DIACÉTIQUE
  申请人：OREAL

  公开号：WO2013174725A2

  公开（公告）日：2013-11-28

  One subject of the invention is a cosmetic composition comprising, in a cosmetically acceptable medium, at least: (a) a lipophilic salicylic acid derivative or a salt thereof, and (b) at least one antiperspirant aluminium salt or complex, and (c) at least one sequestrant chosen from amino acid-N,N-diacetic acid salts. The invention relates in particular to a composition in the form of an emulsion comprising at least one aqueous phase and at least one fatty phase, in particular an oil-in-water emulsion. The invention also relates to a process for preparing a composition in the form of an emulsion, in particular an oil-in-water emulsion, as defined previously, characterized in that the amino acid-N,N-diacetic acid salt is introduced in the presence of the antiperspirant aluminium salt(s) or complex(es) before mixing with the amino acid-N,N- diacetic acid salt and before emulsification of the aqueous phase and of the fatty phase. The invention also relates to a process for the cosmetic treatment of human perspiration and optionally body odours, using this composition.