简介名称和标识符别名信息物化性质安全信息合成路线相关文献专业数据库参考参考资料相关分类

(+)-Biotin-PEG4-azide | 875770-34-6

(+)-Biotin-PEG4-azide结构式图片|875770-34-6结构式图片

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中文名称： (+)-Biotin-PEG4-azide

英文名称： Biotin-PEG3-azide

CAS No.： 875770-34-6

分子式： C₁₈H₃₂N₆O₅S

分子量： 444.548882484436

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：(+)-Biotin-PEG4-azide结构式

MSDS： (+)-Biotin-PEG4-azideMSDS

PubChem CID： 172088926

价格行情： (+)-Biotin-PEG4-azide价格

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简介

Biotin-PEG3-azide 是一种基于 PEG 结构的 PROTAC linker，可用于 PROTAC 的合成。

名称和标识符

MDL	MFCD20134145
InChIKey	ZWFOOMQCYIGZBE-ZOBUZTSGSA-N
Inchi	1S/C18H32N6O5S/c19-24-21-6-8-28-10-12-29-11-9-27-7-5-20-16(25)4-2-1-3-15-17-14(13-30-15)22-18(26)23-17/h14-15,17H,1-13H2,(H,20,25)(H2,22,23,26)/t14-,15-,17-/m0/s1
SMILES	C([C@@H]1SC[C@@H]2NC(N[C@H]12)=O)CCCC(=O)NCCOCCOCCOCCN=[N+]=[N-]

别名信息

- 中文别名 -

N-[2-[2-[2-(2-叠氮乙氧基)乙氧基]乙氧基]乙基]生物素胺
2,2′,3,4,4′,5,-六氯联苯
N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]biotinamide N-[2-[2-[2-(2-叠氮乙氧基)乙氧基]乙氧基]乙基]生物素胺
生物素四聚乙二醇乙基叠氮
N-[2-[2-[2-(2-叠氮乙氧基)乙氧基]乙氧基]乙基]生物素酰胺

- 英文别名 -

(+)-Biotin-PEG4-azide
N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]biotinamide
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pentanamide
Biotin-PEG3-Azide
(+)-Biotin-PEG<SUB>4<

SUB>-azide
N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]hexahydro-2-oxo-(3aS,4S,6aR)- 1H-thieno[3,4-d ]imidazole-4-pentanamide
生物素-三聚乙二醇-叠氮,生物素-PEG3-叠氮
Biotin-PEG3-azide
(3aS,4S,6aR)-N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide (ACI)
Azide-PEG3-biotin
N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

物化性质

实验特性

LogP	1.45036
PSA	179.95000
水溶性	Solubile in DMSO, DMF and water.
熔点	107.0 to 112.0 deg-C

计算特性

精确分子量	444.21500
氢键供体数量	3
氢键受体数量	10
可旋转化学键数量	18
同位素质量	444.21548932 g/mol
重原子数量	30
复杂度	577
同位素原子数量	0
确定原子立构中心数量	3
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	0.5
拓扑分子极性表面积	138Å²
分子量	444.6

安全信息

WGK Germany	3
危险品运输编号	NONH for all modes of transport
储存条件	<0°C

合成路线

合成路线：2 步

112-60-7

875770-34-6

反应条件：

1.1 Reagents: Tosyl chloride , Pyridine , 4-(Dimethylamino)pyridine Solvents: Pyridine
1.2 Reagents: Sodium azide Solvents: Dimethylformamide
1.3 Reagents: Triphenylphosphine , Phosphoric acid , Water Solvents: Diethyl ether , Water
1.4 Reagents: Potassium hydroxide
2.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 15 min, rt
2.2 12 h, rt

参考文献：

Activity-Based Proteome Profiling of Potential Cellular Targets of Orlistat - An FDA-Approved Drug with Anti-Tumor Activities

Yang, Peng-Yu; et al, Journal of the American Chemical Society, 2010, 132(2), 656-666

合成路线：3 步

112-60-7

875770-34-6

反应条件：

1.1 Reagents: Triethylamine , Methanesulfonyl chloride Solvents: Dichloromethane ; 0 °C; 0.5 h, 0 °C → rt; 16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
1.3 Reagents: Sodium azide Solvents: Acetone , Water ; 16 h, 70 °C
2.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Diethyl ether , Water ; 16 h, rt
2.2 Reagents: Sodium hydroxide Solvents: Water ; pH 13, rt
3.1 Reagents: Triethylamine , O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate Solvents: Dimethylformamide ; 16 h, rt
3.2 Solvents: Dimethylformamide ; overnight, rt

参考文献：

The Synthesis and Biological Evaluation of Some C-9 and C-10 Substituted Derivatives of the RNA Polymerase I Transcription Inhibitor CX-5461

Amarasiri, Madushani; et al, Australian Journal of Chemistry, 2021, 74(7), 540-556

合成路线：4 步

112-60-7

98-59-9

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 16 h, rt
2.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 20 h, 100 °C
3.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Toluene , Water ; 0 °C → rt; 18 h, rt
3.2 Reagents: Sodium hydroxide Solvents: Water ; pH 12
4.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 18 h, rt

参考文献：

Chiral Quantum Metamaterial for Hypersensitive Biomolecule Detection

Hajji, Maryam; et al, ACS Nano, 2021, 15(12), 19905-19916

合成路线：1 步

134179-38-7

58-85-5

_90%

875770-34-6

反应条件：

1.1 Reagents: 1-Hydroxybenzotriazole , 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dimethylformamide ; 24 h, 0 °C → rt

参考文献：

Ipomoeassin F Binds Sec61α to Inhibit Protein Translocation

Zong, Guanghui ; et al, Journal of the American Chemical Society, 2019, 141(21), 8450-8461

合成路线：1 步

134179-38-7

58-85-5

_91%

875770-34-6

反应条件：

1.1 Reagents: 1-Hydroxybenzotriazole , 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dimethylformamide ; 0 °C; 0.5 h, 0 °C; 24 h, rt

参考文献：

An Activity-Based Protein Profiling Probe for the Nicotinic Acetylcholine Receptor

Tantama, Mathew; et al, Journal of the American Chemical Society, 2008, 130(47), 15766-15767

合成路线：3 步

638-56-2

875770-34-6

反应条件：

1.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 4 h, 60 °C
2.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Diethyl ether , Water ; 12 h, rt
3.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ; 12 h, rt

参考文献：

Cooperative, Heparan Sulfate-Dependent Cellular Uptake of Dimeric Guanidinoglycosides

Dix, Andrew V.; et al, ChemBioChem, 2010, 11(16), 2302-2310

合成路线：1 步

134179-38-7

35013-72-0

_85%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 15 min, rt
1.2 12 h, rt

参考文献：

Activity-Based Proteome Profiling of Potential Cellular Targets of Orlistat - An FDA-Approved Drug with Anti-Tumor Activities

Yang, Peng-Yu; et al, Journal of the American Chemical Society, 2010, 132(2), 656-666

合成路线：1 步

134179-38-7

58-85-5

_80%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine , O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate Solvents: Dimethylformamide ; 16 h, rt
1.2 Solvents: Dimethylformamide ; overnight, rt

参考文献：

The Synthesis and Biological Evaluation of Some C-9 and C-10 Substituted Derivatives of the RNA Polymerase I Transcription Inhibitor CX-5461

Amarasiri, Madushani; et al, Australian Journal of Chemistry, 2021, 74(7), 540-556

合成路线：1 步

134179-38-7

33755-53-2

_49%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ; 12 h, rt
1.2 Solvents: Water ; rt

参考文献：

Design, synthesis and biological evaluation of photoaffinity probes of antiangiogenic homoisoflavonoids

Lee, Bit; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(17), 4277-4281

合成路线：2 步

101187-39-7

875770-34-6

反应条件：

1.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Toluene , Water ; 0 °C → rt; 18 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 12
2.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 18 h, rt

参考文献：

Chiral Quantum Metamaterial for Hypersensitive Biomolecule Detection

Hajji, Maryam; et al, ACS Nano, 2021, 15(12), 19905-19916

合成路线：3 步

37860-51-8

875770-34-6

反应条件：

1.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 20 h, 100 °C
2.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Toluene , Water ; 0 °C → rt; 18 h, rt
2.2 Reagents: Sodium hydroxide Solvents: Water ; pH 12
3.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 18 h, rt

参考文献：

Chiral Quantum Metamaterial for Hypersensitive Biomolecule Detection

Hajji, Maryam; et al, ACS Nano, 2021, 15(12), 19905-19916

合成路线：1 步

359860-27-8

_62%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine , Trifluoromethanesulfonyl azide , Copper sulfate Solvents: Methanol , Dichloromethane , Water ; 30 min, 0 °C; 2 d, 0 °C → 25 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water

参考文献：

A Click Chemistry Mediated in Vivo Activity Probe for Dimethylarginine Dimethylaminohydrolase

Wang, Yun; et al, Journal of the American Chemical Society, 2009, 131(42), 15096-15097

合成路线：2 步

58-85-5

875770-34-6

反应条件：

1.1 Reagents: Thionyl chloride ; 1 h, rt
2.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ; 10 min, rt
2.2 Solvents: Tetrahydrofuran ; 20 min, rt

参考文献：

Inhibition of Zinc-Dependent Histone Deacetylases with a Chemically Triggered Electrophile

Boskovic, Zarko V.; et al, ACS Chemical Biology, 2016, 11(7), 1844-1851

合成路线：1 步

134179-38-7

33755-53-2

_96%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ; 12 h, rt
1.2 Reagents: Water

参考文献：

Total Synthesis and Biological Evaluation of Tyroscherin

Tae, Hyun Seop; et al, Organic Letters, 2010, 12(19), 4308-4311

合成路线：3 步

112-60-7

875770-34-6

反应条件：

1.1 Reagents: Triethylamine , Methanesulfonyl chloride Solvents: Tetrahydrofuran ; 45 min, 0 °C; 30 min, 0 °C; 6 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; pH 8, 0 °C
1.3 Reagents: Sodium azide ; 0 °C; 0 °C → rt; overnight, reflux
2.1 Reagents: Triphenylphosphine , Phosphoric acid Solvents: Diethyl ether , Water ; 1 h, rt; overnight, rt
3.1 Reagents: Diisopropylethylamine , 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxi… Solvents: Dimethylformamide ; rt
3.2 Solvents: Dimethylformamide ; overnight, rt

参考文献：

A Tripod Molecular Tip for Single Molecule Ligand-Receptor Force Spectroscopy by AFM

Drew, Michael E.; et al, Langmuir, 2010, 26(10), 7117-7125

合成路线：1 步

194041-65-1

134179-38-7

_95%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Chloroform ; 14 h, rt

参考文献：

Identification of Cross-Linked Peptides after Click-Based Enrichment Using Sequential Collision-Induced Dissociation and Electron Transfer Dissociation Tandem Mass Spectrometry

Chowdhury, Saiful M.; et al, Analytical Chemistry (Washington, 2009, 81(13), 5524-5532

合成路线：1 步

134179-38-7

35013-72-0

_98%

875770-34-6

反应条件：

1.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ; 12 h, rt

参考文献：

Cooperative, Heparan Sulfate-Dependent Cellular Uptake of Dimeric Guanidinoglycosides

Dix, Andrew V.; et al, ChemBioChem, 2010, 11(16), 2302-2310

合成路线：1 步

777081-35-3

35013-72-0

_30%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Dimethylformamide ; overnight, rt

参考文献：

Covalent Cell Surface Functionalization of Human Fetal Osteoblasts for Tissue Engineering

Borcard, Francoise; et al, Bioconjugate Chemistry, 2011, 22(7), 1422-1432

合成路线：2 步

6066-82-6

58-85-5

875770-34-6

反应条件：

1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Dimethylformamide ; 18 h, rt
2.1 Reagents: Triethylamine Solvents: Dimethylformamide ; 18 h, rt

参考文献：

Chiral Quantum Metamaterial for Hypersensitive Biomolecule Detection

Hajji, Maryam; et al, ACS Nano, 2021, 15(12), 19905-19916

合成路线：1 步

134179-38-7

58-85-5

_64%

875770-34-6

反应条件：

1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Methanol , Acetonitrile ; 12 h, rt

参考文献：

Chemical Synthesis of Mono- and Bis-Labeled Pre-MicroRNAs

Pradere, Ugo; et al, Angewandte Chemie, 2013, 52(46), 12028-12032

合成路线：2 步

101187-39-7

875770-34-6

反应条件：

1.1 Reagents: Triphenylphosphine , Hydrochloric acid Solvents: Diethyl ether , Water ; 16 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 13, rt
2.1 Reagents: Triethylamine , O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate Solvents: Dimethylformamide ; 16 h, rt
2.2 Solvents: Dimethylformamide ; overnight, rt

参考文献：

The Synthesis and Biological Evaluation of Some C-9 and C-10 Substituted Derivatives of the RNA Polymerase I Transcription Inhibitor CX-5461

Amarasiri, Madushani; et al, Australian Journal of Chemistry, 2021, 74(7), 540-556

合成路线：1 步

134179-38-7

91853-90-6

_30%

875770-34-6

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ; 10 min, rt
1.2 Solvents: Tetrahydrofuran ; 20 min, rt

参考文献：

Inhibition of Zinc-Dependent Histone Deacetylases with a Chemically Triggered Electrophile

Boskovic, Zarko V.; et al, ACS Chemical Biology, 2016, 11(7), 1844-1851

(+)-Biotin-PEG4-azide | 875770-34-6

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