(S)-3-アミノ-2-(tert-ブトキシカルボニルアミノ)プロピオン酸

Boc-Dap-OH

HCID 2755946

基本情報

CAS
73259-81-1
標準SMILES
CC(C)(C)OC(=O)N[C@@H](CN)C(=O)O
InChIKey
KRJLRVZLNABMAT-YFKPBYRVSA-N
分子式
C8H16N2O4
平均分子量
204.22 g/mol
単同位体質量
204.11100699

名称と識別子

優先名称
Boc-Dap-OH
IUPAC
(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
現地名
(S)-3-アミノ-2-(tert-ブトキシカルボニルアミノ)プロピオン酸
英語名
Boc-Dap-OH
分子式
C8H16N2O4
分子量
204.22

名称と別名

73259-81-1Boc-Dap-OHDTXSID90373154RefChem:330030DTXCID90324186Boc-L-2,3-diaminopropionic acid3-Amino-Boc-L-alanineBOC-L-DAP-OH(S)-3-Amino-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00236843(2S)-3-amino-2-{[(tert-butoxy)carbonyl]amino}propanoic acid(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
名称をさらに表示
(S)-3-アミノ-2-(tert-ブトキシカルボニルアミノ)プロピオン酸3-アミノ-N-(tert-ブトキシカルボニル)-L-アラニン3-アミノ-N-Boc-L-アラニンNα-Boc-2,3-ジアミノプロピオン酸NΑ-BOC-L-Β-アミノアラニン(N-BOC-Β-アミノ)-ALA-OHBOC-L-DAP(S)-3-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACIDBOC-DPR-OHBoc-Dapa-OHBOC-L-DAPA-OH(N-Boc-β-amino)-AL3-Amino-Boc-L-alaninBoc-Dap-OH USP/EP/BP
3-Amino-N-Boc-L-alanineAlanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-3-Amino-N-[(tert-butoxy)carbonyl]alanine(2S)-3-amino-2-(tert-butoxycarbonylamino)propanoic acid3-Amino-N-(tert-butoxycarbonyl)-L-alanine(2S)-3-azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateN-Boc-L-2,3-diaminopropanoic acidHY-W008325

データベース識別子

CAS
73259-81-1
PubChem CID
2755946
DTXSID
DTXSID90373154
Nikkaji
J741.063H

物性

構造計算による物性

XLogP
-2.7
極性表面積
102 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
5
重原子数
14

物理化学的性質

融点
210 °C · 210 °C (dec.)
比旋光度
-5.5 · -5.5 º (c=1, acetic acid)
沸点
364.4 · 364.4±37.0 °C(Predicted)
比重(密度)
1.189 · 1.189±0.06 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性
DMSO(微量、加熱、超音波処理)、水(微量、加熱、超音波処理)

化学的性質

化学的特性White powder

安全と法規制

安全データ

F
10
wgk
3
hs_code
29241990
safety_code
24/25
hazard_class
IRRITANT
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Reactant for:Protein assembly directed by synthetic molecular recognition motifsSolid phase synthesis of gramicidin S cyclic analogs with antibiotic and hemolytic activitiesSynthesis of HCV protease inhibitor modified analogsSolid phase synthesis of peptidic V1a receptor agonistsDirected peptide assembly at lipid-water interface

調製方法 · 1 件

製造方法The raw material was dissolved inabsolute ethanol (5 mL), and the reaction flask was immersed in a water bath at 25 C. To the alcoholicsolution, 10% palladium-carbon (22.9 mg) and 1,4-cyclohexadiene (10 equivalents with respect to4; 0.47 mL, 5.0 mmol) were added, and the mixture was allowed to react under magnetic stirringovernight. After filtration over a short pad of Celite 545, the solvent was evaporated under reducedpressure conditions, and the solid residue was partitioned in a 1:1 (v/v) H2O/EtOAc mixture (10 mL).The aqueous phase was separated, back extracted with EtOAc (3 10 mL), concentrated under reducedpressure conditions, and lyophilized.Finally, the target product Boc-Dap-OH is obtained.

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義Boc-Dap-OH is an amino acid molecule that is a zwitterion. Therefore, the addition of a base is required to prepare a nucleophilic amino acid. It is commonly acts as a nucleophile to attack the acyl carbon.

関連反応

18 件

化合物ノート

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