Biotin-PEG2-Amine - ≥97% , CAS No.138529-46-1

CAS: 138529-46-1 Cat. No.: B122226 Formula: C₁₆H₃₀N₄SO₄ Molecular Weight: 374.49

GRADE & PURITY ≥97%

Synonyms

DTXSID301030316 | (+)-Biotin-PEG2-CH2CH2NH2 | AKOS027326131 | n-(8-amino-3,6-dioxaoctanyl) biotinamide | (+)-Biotin-(PEO)3-amine | Acetamide, N-p-sulfamoylphenethyl- | Q4915359 | N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thien

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Biotin-DADOO is a biotin-containing amine compound and a biotinylation reagent. As an amino component, Biotin-DADOO participates in the nucleophilic ring-opening reaction of epoxidized ω-double bonds during the synthesis of biotinylated inhibitor derivatives. Biotin-DADOO can be conjugated with carboxymethyl cellulose derivatives. Biotin-DADOO is involved in the synthesis of biotin-estradiol conjugates for enzyme immunoassays. Biotin-DADOO can be used in the research of influenza A.

Specifications

Synonyms

DTXSID301030316 | (+)-Biotin-PEG2-CH2CH2NH2 | AKOS027326131 | n-(8-amino-3,6-dioxaoctanyl) biotinamide | (+)-Biotin-(PEO)3-amine | Acetamide, N-p-sulfamoylphenethyl- | Q4915359 | N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thien

Specifications & Purity

≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

504766152

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766152

Canonical Smiles

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN)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-aminoethoxy)ethoxy]ethyl]pentanamide

InChIKey

LWISPDYGRSGXME-YDHLFZDLSA-N

INCHI

1S/C16H30N4O4S/c17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)/t12-,13-,15-/m0/s1

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCN)NC(=O)N2

Molecular Weight

374.49

Reaxy-Rn

11528145

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11528145&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Amino acids and derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Amino acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aliphatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive ；Heat sensitive
• Molecular Weight: 374.500 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 374.199 Da
• Monoisotopic Mass: 374.199 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 427.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 138529-46-1, the molecular formula is C16H30N4O4S, and the molecular weight is 374.49 g/mol. InChIKey LWISPDYGRSGXME-YDHLFZDLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.