Biotin-PEG6-Mal - ≥98% , CAS No.1808990-66-0

CAS: 1808990-66-0 Cat. No.: B595477 分子式: C₃₁H₅₁N₅O₁₁S 分子量: 701.83 PubChem CID: 77078215

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Biotin-PEG6-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.

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=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-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: ILVNKONXZBFCPD-QRQMUESOSA-N
• INCHI: 1S/C31H51N5O11S/c37-26(4-2-1-3-25-30-24(23-48-25)34-31(41)35-30)32-8-11-42-13-15-44-17-19-46-21-22-47-20-18-45-16-14-43-12-9-33-27(38)7-10-36-28(39)5-6-29(36)40/h5-6,24-25,30H,1-4,7-23H2,(H,32,37)(H,33,38)(H2,34,35,41)/t24-,25-,30-/m0/s1
• 異性体SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
• PubChem CID: 77078215
• 分子量: 701.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility in DCM
• 分子量: 701.800 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 29
• Exact Mass: 701.331 Da
• Monoisotopic Mass: 701.331 Da
• Topological Polar Surface Area: 217.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1020.000
• 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