Boc-Ala-Ala-NH2 | 41036-24-2

• 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: Boc-Ala-Ala-NH2
• 英文别名: (Tert-butyloxycarbonyl)-alanyl-alanyl-amine；tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
• CAS: 41036-24-2
• 化学式: C₁₁H₂₁N₃O₄
• 分子量: 259.305
• InChiKey: OAXZAMSRJZWMEV-BQBZGAKWSA-N

物化性质

• 熔点：
  145-148 °C
• 沸点：
  503.1±35.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Boc-Ala-Ala-NH2 在 盐酸 作用下， 以 乙二醇二甲醚 为溶剂， 反应 1.0h， 以100%的产率得到H-Ala-Ala-NH2*HCl
  参考文献：
  名称：

  丝氨酸蛋白酶辅助的α-胰蛋白酶肽底物的合成

  摘要：

  δ-胰蛋白酶可催化酰化氨基酸和肽酯（作为羧基成分）和氨基酸和肽酰胺（作为氨基成分）之间的肽键形成。研究了在肽合成中酶催化偶联可用于片段缩合的条件。为了说明该方法四，五和结构的AC-L的六肽的合成XN ... ...你XL大号基... ...你YM NH 2其中L XL酪氨酸，设计为用于α胰凝乳蛋白酶底物，进行说明。

  DOI：

  10.1002/hlca.19820650605
• 作为产物：
  描述：

  叔丁氧羰基-脯氨酰-琥珀酰亚胺 在 N-甲基吗啉 、 氨 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 Boc-Ala-Ala-NH2
  参考文献：
  名称：

  丝氨酸蛋白酶辅助的α-胰蛋白酶肽底物的合成

  摘要：

  δ-胰蛋白酶可催化酰化氨基酸和肽酯（作为羧基成分）和氨基酸和肽酰胺（作为氨基成分）之间的肽键形成。研究了在肽合成中酶催化偶联可用于片段缩合的条件。为了说明该方法四，五和结构的AC-L的六肽的合成XN ... ...你XL大号基... ...你YM NH 2其中L XL酪氨酸，设计为用于α胰凝乳蛋白酶底物，进行说明。

  DOI：

  10.1002/hlca.19820650605

文献信息

• Synthesis of a TMC-95A Ketomethylene Analogue by Cyclization via Intramolecular Suzuki Coupling
  作者：Markus Kaiser、Carlo Siciliano、Irmgard Assfalg-Machleidt、Michael Groll、Alexander G. Milbradt、Luis Moroder

  DOI：10.1021/ol035178f

  日期：2003.9.1

  [structure: see text] A TMC-95A analogue extended at the C-terminus with NlePsi[COCH(2)]Gly-Ala-Ala-NH(2) was synthesized via side-chain cyclization of the linear precursor by a Suzuki cross-coupling reaction in solution to analyze the effect of additional P' residues on the inhibitory potency against yeast proteasome.

  [结构：见正文]通过Suzuki杂交通过线性前体的侧链环化合成了在C末端带有NlePsi [COCH（2）] Gly-Ala-Ala-NH（2）的TMC-95A类似物。 -溶液中的β-偶联反应以分析额外的P'残基对酵母蛋白酶体的抑制能力的影响。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• Protein Backbone Modification by Novel C.alpha.-C Side-Chain Scission
  作者：Darshan Ranganathan、Narendra K. Vaish、Kavita Shah

  DOI：10.1021/ja00094a008

  日期：1994.7

  alpha-Ketoamide (-NH-CO-CO-) units in intact peptides are generated from Ser/Thr residues via Ru(VIII)catalyzed C-alpha-C side-chain scission. Facets associated with this novel cu-carbon modification have been probed with 75 peptides chosen to represent every possible peptide environment. The reactions were carried out at room temperature with in situ generated Ru(VIII) in biphasic (CH3CN/CCl4/pH 3 phosphate buffer, 1:1:2 v/v) medium. Whereas Ser/Thr residues placed at the C-terminal end in peptides undergo N-C bond scission leading to des-Ser/Thr peptide amides-thus acting as Gly equivalents in simulating the alpha-amidating action of pituitary enzymes-those located at the N-terminal or nonterminal or even at the C-terminal position (protected as amide) were found to undergo oxidative C-C bond scission (involving C-alpha and C side-chain bond), resulting in the generation of alpha-ketoamide (-NH-CO-CO-) units in the intact peptide backbone. The difference in the products arising from C-alpha-C side-chain scission of Ser/Thr esters and amides is rationalized on the basis of a common mechanism involving either oxaloesters [Pep-NH-CO-COX; X = OMe] or oxalamides [X = NH2 or NH-Pep] arising from the oxidation of initially formed carbinolamide intermediates [Pep-NH-CH(OH)-COX],wherein, while the former are shown to undergo hydrolysis to terminal amides [Pep-NH2], the oxalamides are found to be stable to hydrolysis. Ancillary noteworthy findings are those of peptide bond scission when contiguous Ser-Ser/Thr-Thr residues are present and the oxidative cleavage at C-terminal Tyr/Trp sites generating des amides. The oxidative methodology presented here is mild, simple, and practical and proceeds with chiral retention. The insensitivity of a large number of amino acid residues, such as Gly, Ala, Leu, Asn, Gln, Asp, Glu, Pro, Arg, Phe, Lys, Val, and Aib, and N-protecting groups, such as Boc, Z, and Bz, toward Ru(VIII) under the experimental conditions should make this methodology practical and useful. Sulfur-containing amino acids Cys and Met get oxidized to sulfones in the products.
• RANGANATHAN, DARSHAN;SAINI, SUJATA, J. AMER. CHEM. SOC., 113,(1991) N, C. 1042-1044
  作者：RANGANATHAN, DARSHAN、SAINI, SUJATA

  DOI：——

  日期：——
• ADVANCED DRUG DEVELOPMENT AND MANUFACTURING
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519A2

  公开（公告）日：2009-08-05