Biotin-PEG3-Mal - ≥98% , CAS No.1431618-70-0

CAS: 1431618-70-0 Cat. No.: B595474 Fórmula: C₂₅H₃₉N₅O₈S Peso molecular: 569.7 PubChem CID: 77078216

GRAU & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Biotin-PEG3-Mal is a PEG derivative containing a biotin group and a maleimide group for labeling and crosslinking cysteines and other sulfhydryls. The maleimide group reacts specifically with sulfhydryl groups (at pH 6.5-7.5) to form a stable, irreversible thioether linkage. The hydrophilic PEG spacer increases solubility in aqueous media of the molecules conjugated to the biotin compound. It also helps to minimize steric hindrance involved with the binding to avidin molecules.

Especificações

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCNC(=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-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

InChIKey

OSIQQRWDJZNBFW-JXQFQVJHSA-N

INCHI

1S/C25H39N5O8S/c31-20(4-2-1-3-19-24-18(17-39-19)28-25(35)29-24)26-8-11-36-13-15-38-16-14-37-12-9-27-21(32)7-10-30-22(33)5-6-23(30)34/h5-6,18-19,24H,1-4,7-17H2,(H,26,31)(H,27,32)(H2,28,29,35)/t18-,19-,24-/m0/s1

SMILES isoméricas

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2

PubChem CID

77078216

Peso molecular

569.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility in DMSO, DCM, DMF
• Peso molecular: 569.700 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 569.252 Da
• Monoisotopic Mass: 569.252 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 871.000
• 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