BOC-N-メチル-L-ロイシン

N-(tert-butoxycarbonyl)-N-methylleucine

HCID 333436

基本情報

CAS
53363-89-6
標準SMILES
CC(C)CC(C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey
YXJFAOXATCRIKU-UHFFFAOYSA-N
分子式
C12H23NO4
平均分子量
245.32 g/mol
単同位体質量
245.16270821

名称と識別子

優先名称
N-(tert-butoxycarbonyl)-N-methylleucine
IUPAC
4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
現地名
BOC-N-メチル-L-ロイシン
英語名
Boc-N-methyl-L-leucine
分子式
C12H23NO4
分子量
245.32

名称と別名

Boc-N-methyl-DL-Leucine13734-32-2Boc-DL-Ala(tBu)-OHN-(tert-butoxycarbonyl)-N-methylleucineBoc-Nalpha-methyl-D-leucineMFCD00480937(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidNSC3343234-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidBoc-Nalpha-methyl-L-leucineSCHEMBL670312-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoic acid
名称をさらに表示
BOC-N-メチル-L-ロイシンBOC-N-ME-LEU-OHN-(tert-butoxycarbonyl)-N-methyl-L-leucineTyr(Me)BOC-MELEU-OHBOC-LEU(ME)-OHBOC-L-MELEU-OHBOC-ALA(TBU)-OHBoc-N-Me-Leu-0HBOC-N-ME-LEUCINEBoc-N-Me-L-Leu-OH
MFCD35057687MFCD35057689STK005801AKOS005375351NSC-334323LS-14150PD196690SY315216

データベース識別子

CAS
53363-89-6
PubChem CID
333436

物性

構造計算による物性

XLogP
2.4
極性表面積
66.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
6
重原子数
17

物理化学的性質

融点
55 · 55-60 °C
沸点
338.2 · 338.2±21.0 °C(Predicted)
比重(密度)
1.053 · 1.053±0.06 g/cm3(Predicted)
貯蔵温度
2 · Sealed in dry,2-8°C
酸解離定数(Pka)
4.04 · 4.04±0.21(Predicted)
外見
Solid

安全と法規制

安全データ

wgk
3
hs_code
2924 19 00
hazard_class
IRRITANT
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明Boc-N-methyl-L-leucine is the BOC (tert-butyloxycarbonyl) protected N-methylated leucine. The N-methylated amino acid is quite useful in the peptide synthesis, giving a lot of improved properties to peptide. Studies have shown that peptide containing N-methylated amino acids obtain increased proteolytic stability, increased membrane permeability, and altered conformation. The effects of N-methylated amino acids are quite important in the development of therapeutic peptide compound as well as in the assay of biological activity of some modified peptides. BOC group can be easily removed by treatment with strong acids such as trifluoroacetic acid.

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関連反応

6 件

化合物ノート

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