丙基D-丙氨酸酯 | 104055-32-5

• 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
• 中文名称: 丙基D-丙氨酸酯
• 中文别名: D-丙氨酸,丙基酯(9CI)
• 英文名称: D-alanine 1-propyl ester
• 英文别名: D-alanine propyl ester；propyl (2R)-2-aminopropanoate
• CAS: 104055-32-5
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: GSMUZACKUHJQDP-RXMQYKEDSA-N

物化性质

• 沸点：
  152.3±13.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  丙基D-丙氨酸酯 在 钯 氢气 作用下， 以 乙醚 、 水 、 异丙醇 为溶剂， 生成 α-L-Aspartyl-D-alanine propyl ester
  参考文献：
  名称：

  合成甜味剂。3.来自L-和D-烷基甘氨酸的天冬氨酰二肽酯。

  摘要：

  DOI：

  10.1021/jm00269a014
• 作为产物：
  描述：

  丙醇 、 D-丙氨酸 在 氯化亚砜 作用下， 生成 丙基D-丙氨酸酯
  参考文献：
  名称：

  合成甜味剂。3.来自L-和D-烷基甘氨酸的天冬氨酰二肽酯。

  摘要：

  DOI：

  10.1021/jm00269a014

文献信息

• ANTIMICROBIAL COMPOUNDS AND METHODS OF USE
  申请人：NEXMED HOLDINGS, INC.

  公开号：US20140170207A1

  公开（公告）日：2014-06-19

  The present disclosure provides antimicrobial compounds, compositions comprising such antimicrobial compounds, and methods of their use, in particular, antibacterial compounds and antifungal compounds. In certain aspects, the antimicrobial compounds are effective against pathogens of hospital-acquired infections. In certain aspects, the antimicrobial compounds are effective against pathogens that are resistant to antibiotics. The antimicrobial compounds can be used in antibacterial compositions, antifungal compositions, antiseptic compositions and disinfectant compositions. The antimicrobial compounds can be used as adjuncts in antibacterial compositions and antifungal compositions.

  本公开提供抗微生物化合物，包含这些抗微生物化合物的组合物，以及它们的使用方法，特别是抗菌化合物和抗真菌化合物。在某些方面，这些抗微生物化合物对医院感染的病原体具有有效性。在某些方面，这些抗微生物化合物对抗生素耐药的病原体具有有效性。这些抗微生物化合物可用于抗菌组合物、抗真菌组合物、防腐剂组合物和消毒剂组合物。这些抗微生物化合物可用作抗菌组合物和抗真菌组合物的辅助剂。
• Tripeptides and sweetening agents containing the same
  申请人：Ajinomoto Co., Inc.

  公开号：US04780528A1

  公开（公告）日：1988-10-25

  Tripeptide sweeteners represented by formula (I) X--Asp--Y--OR wherein X is glycine or a D or DL-isomer of alanine, .alpha.-aminobutyric acid, serine, threonine, norvaline, asparagine, B-methyl aspartate, proline or pipecolic acid, and Y is a D, L or DL-isomer of alanine, phenylalanine, phenylglycine, serine or .beta.-aminobutyric acid or a salt thereof, and R is methyl, ethyl, propyl or isopropyl, are disclosed.

  公开了由式(I) X--Asp--Y--OR所代表的三肽甜味剂，其中X是甘氨酸或D或DL异构体的丙氨酸、α-氨基丁酸、丝氨酸、苏氨酸、正缬氨酸、天冬氨酸、B-甲基天冬氨酸、脯氨酸或吡啶基丙酸，而Y是D、L或DL异构体的丙氨酸、苯丙氨酸、苯基甘氨酸、丝氨酸或β-氨基丁酸或其盐，而R是甲基、乙基、丙基或异丙基。
• NOVEL ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS
  申请人：Ajinomoto Co., Inc.

  公开号：EP1088829A1

  公开（公告）日：2001-04-04

  There are provided novel aspartyl dipeptide ester derivatives (including salts thereof) such as N-[N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl]-L-(α-methyl)phenylalanine 1-methyl ester which are usable as sweeteners, and sweeteners, foods and the like containing the same. These derivatives are usable as low-calory sweeteners especially excellent in the degree of sweetness in comparison with the conventional products.

  本文提供了新型天冬氨酰二肽酯衍生物（包括其盐），如 N-[N-[3-(3-羟基-4-甲氧基苯基)丙基]-L-α-天冬氨酰]-L-(α-甲基)苯丙氨酸 1-甲酯，可用作甜味剂，以及含有这些衍生物的甜味剂、食品等。 这些衍生物可用作低热量甜味剂，与传统产品相比，其甜度尤其出色。
• Isoquinoline inhibitors of P38
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2036891A2

  公开（公告）日：2009-03-18

  The present invention relates to inhibitors (ia)-(id) of p38, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders. All substituents are as in claim 1.

  本发明涉及 p38 抑制剂 (ia)-(id)，p38 是一种哺乳动物蛋白激酶，参与细胞增殖、细胞死亡和对细胞外刺激的反应。本发明还涉及生产这些抑制剂的方法。本发明还提供了包含本发明抑制剂的药物组合物以及利用这些组合物治疗和预防各种疾病的方法。所有取代基与权利要求1中的相同。
• Synthesis and Secondary Structure of Poly(1-methylpropargyl-<i>N</i>-alkylcarbamate)s
  作者：Yusuke Shirakawa、Yuji Suzuki、Kayo Terada、Masashi Shiotsuki、Toshio Masuda、Fumio Sanda

  DOI：10.1021/ma100937k

  日期：2010.7.13

  A series of novel 1-methylpropargyl-N-alkylcarbamates, HC C-(R)-CH(CH3)OCONHCH2-CO2CH2CH2](R)-1HC C-(S)-CH(CH3)OCONHCH2CO2CH2CH2[(S)-1], HC C-(S)-CH(CH3)-OCONH-(R)-CH(CH3)CH2CH2CH2CH2CH2CH3[(s),(R)'-2], HC C-(S)-CH(CH3)OCONH-(R)-CH(CH3)CO2-CH2CH2CH3[(S),(R)-3], HC CCH2OCONH-(R)-CH(CH3)CO2CH2CH2CH3 [(R)'-4, HC CCH2OCONH-(S)-CH(CH3)CO2CH2CH2CH3[(S)'-4], and HC CCH2OCONHCH2CO2CH2CH2CH3 (5) were synthesized and r olymel Ind using (nbd)Rh+[eta(6)-C6H5B-(C6H5)(3)] (nbd = bornachene) as a catalyst Substituted cis-stereoregular polyacetylencs with moderate molecular weights were obtained in good yields Polyl(R)-1.1, polyl(S)- I, polyl(S),(RY-2), and poly[(5),(R)1-31 exhibited laige optical rotations (vertical bar[alpha](D)vertical bar= 344 degrees -508 degrees), clear CD signal; (Ar = 4 8-7 0 M-1 cm-1) in CliC11, and Inch viscosity indices (0 82-0 87), demonstrating the formation or-helical structures with predominantly one-handed sciew sense, which wei c stable up to 55 degrees C in the solvent The solution state IR measurement confirmed the presence of mtramolecular hydrogen bonding between the pendent carbamate groups of the polymers Chiral amplification was observed in chiral/achiral [(S)-1/5] and R/S [(R)-I /(S)-1] copolymei izations Conformational analysis revealed that the polymers adopt a tightly twisted helical conformation with a dihedral angle of 70 degrees at the single bond on the main chain The molecular mechanics calcul.ition and X-ray diffraction measurement suggested that the diameter of the helix is 25 and 17 angstrom, respectively.