N-Biotinyl-N'-(3-maleimidopropionyl)-3,6-dioxaoctane-1,8-diamine - ≥95% , CAS No.305372-39-8

CAS: 305372-39-8 Cat. No.: B122231 Peso molecular: 525.62 Número EC: 678-247-4

GRADE & PURITY ≥95%

Synonyms

N-[2-[2-[2-[(3-Maleimidopropionyl)amino]ethoxy]ethoxy]ethyl]biotinamide | Biotin-PEG2-NH-Mal | B3174 | SCHEMBL9893190 | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]etho

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Sinónimos

N-[2-[2-[2-[(3-Maleimidopropionyl)amino]ethoxy]ethoxy]ethyl]biotinamide | Biotin-PEG2-NH-Mal | B3174 | SCHEMBL9893190 | 5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]-N-[2-[2-[2-[3-(2, 5-dioxopyrrol-1-yl)propanoylamino]ethoxy]etho

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
• IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: UDPCXVIKHFVPSZ-HOIFWPIMSA-N
• INCHI: 1S/C23H35N5O7S/c29-18(4-2-1-3-17-22-16(15-36-17)26-23(33)27-22)24-8-11-34-13-14-35-12-9-25-19(30)7-10-28-20(31)5-6-21(28)32/h5-6,16-17,22H,1-4,7-15H2,(H,24,29)(H,25,30)(H2,26,27,33)/t16-,17-,22-/m0/s1
• Isómeros SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
• Peso molecular: 525.62
• Reaxy-Rn: 41472079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41472079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Maleimides Imidazolidinones N-acyl amines N-substituted carboxylic acid imides Dicarboximides Thiophenes Thiolanes Pyrrolines Ureas Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Maleimide - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Imidazolidine - Thiophene - Thiolane - Pyrroline - Carboxamide group - Urea - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Peso molecular: 525.600 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 525.226 Da
• Monoisotopic Mass: 525.226 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 822.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1