Biotin-HPDP - ≥90% , CAS No.129179-83-5

CAS: 129179-83-5 Cat. No.: B275284 Formula: C₂₄H₃₇N₅O₃S₃ Molecular Weight: 539.78

GRADE & PURITY ≥90%

Synonyms

Pyridyldisulfide-biotin | Pyridyldithiol-biotin | Biotin HPDP | MFCD00078541 | HY-136769 | SCHEMBL1305633 | B5749 | DTXSID90580280 | n-(6-(Biotinamido)hexyl)-3'-(2'-pyridyldithio)propionamide | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imi

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms

Pyridyldisulfide-biotin | Pyridyldithiol-biotin | Biotin HPDP | MFCD00078541 | HY-136769 | SCHEMBL1305633 | B5749 | DTXSID90580280 | n-(6-(Biotinamido)hexyl)-3'-(2'-pyridyldithio)propionamide | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imi

Specifications & Purity

≥90%

Biochemical and Physiological Mechanisms

Sulfhydryl-reactive, medium length (29.2 angstroms) reversible biotinylation reagent. Forms reversible disulfide links which can be cleaved using DTT or other reducing agents. Tags S-nitrosylated proteins, following reduction of SNO groups to thiols.

Source

Synthetic

Storage

Protected from light,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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥90%

Names and Identifiers

Pubchem Sid

528773398

Canonical Smiles

C1C2C(C(S1)CCCCC(=O)NCCCCCCNC(=O)CCSSC3=CC=CC=N3)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-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexyl]pentanamide

InChIKey

QLPHBNRMJLFRGO-YDHSSHFGSA-N

INCHI

1S/C24H37N5O3S3/c30-20(10-4-3-9-19-23-18(17-33-19)28-24(32)29-23)25-13-6-1-2-7-14-26-21(31)12-16-34-35-22-11-5-8-15-27-22/h5,8,11,15,18-19,23H,1-4,6-7,9-10,12-14,16-17H2,(H,25,30)(H,26,31)(H2,28,29,32)/t18-,19-,23-/m0/s1

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)CCSSC3=CC=CC=N3)NC(=O)N2

Molecular Weight

539.78

Reaxy-Rn

12757038

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12757038&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 Pyridines and derivatives N-acyl amines Imidazolidinones Thiophenes Thiolanes Heteroaromatic compounds Ureas Secondary carboxylic acid amides Organic disulfides Sulfenyl compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Pyridine - Imidazolidine - Heteroaromatic compound - Thiolane - Thiophene - Carboxamide group - Organic disulfide - Secondary carboxylic acid amide - Urea - Dialkylthioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 25 mM
• Sensitivity: light,Moisture,Heat sensitive
• Molecular Weight: 539.800 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 539.206 Da
• Monoisotopic Mass: 539.206 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 672.000
• 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