BOC-N-メチル-L-ロイシン
(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
基本情報
- CAS
53363-89-6- 標準SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C- InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-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
- (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
- IUPAC
- (2S)-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
(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)-4-methylpentanoic acidRefChem:397955834-864-2Boc-N-Me-Leu-OH53363-89-6Boc-N-methyl-L-leucineBoc-MeLeu-OHL-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-MFCD00038522N-(tert-butoxycarbonyl)-N-methyl-L-leucineN-boc-N-methyl-d-leucine
名称をさらに表示
BOC-N-メチル-L-ロイシンTyr(Me)BOC-LEU(ME)-OHBOC-L-MELEU-OHBOC-ALA(TBU)-OHBoc-N-Me-Leu-0HBOC-N-ME-LEUCINE
(2S)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoic acidBoc-Nalpha-methyl-L-leucineBoc-N-Me-L-Leu-OHBocMeLeuOH(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidN-Boc-N-methylleucineBoc-(Neopentyl)gly-OHN-Methyl-N-Boc-L-Leucine
データベース識別子
- CAS
53363-89-6- PubChem CID
- 7010555
- ChEMBL
CHEMBL5307058- EC Number
- 834-864-2
- Nikkaji
- J943.978A
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
- 形式電荷
- 0
- 複雑度
- 281
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
- 色
- White to off-white
- BRN
- 2373250 · 2373250
- 主な用途
- ペプチド合成
- InChI
- InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
- InChIKey
- YXJFAOXATCRIKU-VIFPVBQESA-N
- SMILES
- C(O)(=O)[C@H](CC(C)C)N(C(OC(C)(C)C)=O)C
- CAS データベース
- 53363 · 53363-89-6(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
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.
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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