N-(carbobenzyloxymethyl)-3-aminopropionic acid, ethyl ester | 301534-05-4

• 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: N-(carbobenzyloxymethyl)-3-aminopropionic acid, ethyl ester
• 英文别名: 3-[N-(benzyloxycarbonylmethyl)amino]propionic acid ethyl ester；ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]propanoate
• CAS: 301534-05-4
• 化学式: C₁₄H₁₉NO₄
• 分子量: 265.309
• InChiKey: KCEFNIGJRMCTCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(carbobenzyloxymethyl)-3-aminopropionic acid, ethyl ester 在 palladium-carbon potassium carbonate 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(carbo-t-butoxymethyl)-4-(2-carboethoxyethyl)-7-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
  参考文献：
  名称：

  US6171578

  摘要：

  公开号：
• 作为产物：
  描述：

  beta-丙氨酸乙酯盐酸盐 、 2-溴乙酸苄酯 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 N-(carbobenzyloxymethyl)-3-aminopropionic acid, ethyl ester
  参考文献：
  名称：

  EP2017263

  摘要：

  公开号：

文献信息

• CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES
  申请人：Triad National Security, LLC

  公开号：US20200131140A1

  公开（公告）日：2020-04-30

  The present disclosure provides improved methods for controlled cyclization of peptoid dimers to form N,N′-2,5-diketopiperazines (N,N′-2,5-DKPs) with significant selectivity. In at least some examples, selectivity is based on a serendipitous conglomeration of slow exchange of amide rotamers, steric repulsion from the degree of α-substitution, and the geometric bulk of an amine nucleophile. By varying reaction conditions, the selectivity of the reaction and formation of a particular N,N′-2,5-DKP can be switched. The cyclization works in the presence of a variety of protection groups and diverse functionalities. The teachings herein provide techniques for synthesizing N,N′-2,5-DKPs that can be readily docked with drug candidates for shuttling across the blood brain barrier. This method provides a facile way to produce substituted DKPs containing groups ready for post-modification to include docking drug candidates.

  本公开提供了改进的方法，用于控制肽烷二聚体的环化，形成具有显著选择性的N，N'-2,5-二酮哌嗪（N，N'-2,5-DKP）。在至少一些示例中，选择性基于酰胺旋转体的缓慢交换的偶然混合，α-取代程度的立体排斥以及胺亲核试剂的几何体积。通过改变反应条件，可以切换反应的选择性和特定N，N'-2,5-DKP的形成。该环化反应在各种保护基和多样化的官能团存在下进行。本文提供了用于合成可轻松与药物候选物交会以穿越血脑屏障的N，N'-2,5-DKP的技术。该方法提供了一种简便的方法来产生含有用于后修饰的基团的取代DKP，以包括交会药物候选物。
• HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE
  申请人：Machinaga Nobuo

  公开号：US20090324581A1

  公开（公告）日：2009-12-31

  To provide a novel compound which has S1P receptor agonistic activity, exhibits excellent immunosuppressing effect, gives less adverse side effects, and can be orally administered. The invention provides a compound represented by general formula (I) (wherein A is a single bond, —O—, or —CH 2 —; R 1 represents a hydrogen atom or a C 1 -C 6 alkyl group, and V represents any one group selected from among the following groups (1) to (3): (1) -G 1 -, (2) -G 2 -N(R 2 )-G 3 -, and (3) a group represented by formula 2, wherein each of Z 1 and Z 2 represents a hydrogen atom or a C 1 -C 6 alkyl group, Z 3 represents a hydrogen or the like, Q represents —CH 2 —O— or the like, and Y represents a group represented by formula 3, a salt thereof, or a solvate thereof.

  提供一种新型化合物，具有S1P受体激动活性，表现出优异的免疫抑制效果，产生较少的不良副作用，并可口服。本发明提供一种由通式（I）表示的化合物（其中A是单键，-O-或-CH2-；R1表示氢原子或C1-C6烷基基团，V表示从以下组（1）至（3）中选择的任一组：（1）-G1-，（2）-G2-N（R2）-G3-，以及（3）由式2表示的组，其中Z1和Z2分别表示氢原子或C1-C6烷基基团，Z3表示氢或类似物，Q表示-CH2-O-或类似物，Y表示由式3表示的基团，其盐或溶剂化物。
• ANTIFUNGAL BICYCLIC HETERO RING COMPOUNDS
  申请人：Kawakami Katsuhiro

  公开号：US20090143353A1

  公开（公告）日：2009-06-04

  A 1,6-β-glucan synthetase inhibitor is provided, having potent growth inhibition and having excellent safety. A compound is provided, capable of expressing in a wide spectral range and specifically or selectively, an antifungal effect based on its functional mechanism of 1,6-β-glucan synthesis inhibition. Also provided is a drug, especially an antifungal that contains the compound, its salt or their hydrate. Concretely, provided are a compound of the following formula (I), its salt or their hydrate, and a drug or antifungal containing, as the active ingredient, the compound, its salt or their hydrate:

  提供了一种1,6-β-葡聚糖合成酶抑制剂，具有强效的生长抑制作用，且安全性优异。提供了一种化合物，能够在广泛的光谱范围内表达，并基于其1,6-β-葡聚糖合成抑制的功能机制具有特异性或选择性的抗真菌作用。还提供了一种药物，特别是含有该化合物、其盐或其水合物作为活性成分的抗真菌药物。具体而言，提供了以下式（I）的化合物、其盐或其水合物以及含有该化合物、其盐或其水合物作为活性成分的药物或抗真菌药物：
• BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1932837A1

  公开（公告）日：2008-06-18

  A 1,6-β-glucan synthetase inhibitor is provided, having potent growth inhibition and having excellent safety. A compound is provided, capable of expressing in a wide spectral range and specifically or selectively, an antifungal effect based on its functional mechanism of 1,6-β-glucan synthesis inhibition. Also provided is a drug, especially an antifungal that contains the compound, its salt or their hydrate. Concretely, provided are a compound of the following formula (I), its salt or their hydrate, and a drug or antifungal containing, as the active ingredient, the compound, its salt or their hydrate:

  本发明提供了一种 1,6-β-葡聚糖合成酶抑制剂，它具有强效的生长抑制作用和出色的安全性。 根据 1,6-β 葡聚糖合成抑制的功能机理，提供了一种化合物，它能够在宽光谱范围内特异性或选择性地表达抗真菌作用。还提供了一种药物，特别是含有该化合物、其盐或其水合物的抗真菌药物。具体地说，提供了下式（I）的化合物、其盐或它们的水合物，以及含有该化合物、其盐或它们的水合物作为活性成分的药物或抗真菌剂：
• Controlled cyclization of peptoids to form chiral diketopiperazines
  申请人：Triad National Security, LLC

  公开号：US11084794B2

  公开（公告）日：2021-08-10

  The present disclosure provides improved methods for controlled cyclization of peptoid dimers to form N,N′-2,5-diketopiperazines (N,N′-2,5-DKPs) with significant selectivity. In at least some examples, selectivity is based on a serendipitous conglomeration of slow exchange of amide rotamers, steric repulsion from the degree of α-substitution, and the geometric bulk of an amine nucleophile. By varying reaction conditions, the selectivity of the reaction and formation of a particular N,N′-2,5-DKP can be switched. The cyclization works in the presence of a variety of protection groups and diverse functionalities. The teachings herein provide techniques for synthesizing N,N′-2,5-DKPs that can be readily docked with drug candidates for shuttling across the blood brain barrier. This method provides a facile way to produce substituted DKPs containing groups ready for post-modification to include docking drug candidates.

  本公开提供了改进的方法，用于控制哌啶二聚体的环化，以形成具有显著选择性的 N,N′-2,5-二酮哌嗪（N,N′-2,5-DKPs）。至少在某些实例中，选择性是基于酰胺旋转体的缓慢交换、α-取代度产生的立体排斥力以及胺亲核分子的几何体积等偶然因素的综合作用。通过改变反应条件，可以改变反应的选择性和特定 N,N′-2,5-DKP 的形成。环化反应可在各种保护基团和不同官能团存在的情况下进行。本文的教导提供了合成 N,N′-2,5-DKPs 的技术，这些 N,N′-2,5-DKPs 可以很容易地与候选药物对接，从而穿过血脑屏障。这种方法提供了一种简便的方法来生产含有可进行后修饰的基团的取代 DKPs，以包括对接候选药物。