SPDP-C6-Sulfo-NHS ester - ≥90% , CAS No.169751-10-4

CAS: 169751-10-4 Cat. No.: S595682 Molecular Weight: 527.57 EC Number: 695-697-7 PubChem CID: 4588467

GRADE & PURITY ≥90%

Synonyms

BP-22652 | Sulfosuccinimidyl 6-[3-(2-pyridyldithio)propionamido]hexanoate | 3-Pyrrolidinesulfonic acid, 2,5-dioxo-1-[[1-oxo-6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexyl]oxy]-, monosodium salt | Sulfo-SPDP-C6-NHS sodium | sodium;2,5-dioxo-1-[6-[3-(pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SPDP-C6-Sulfo-NHS ester is a water-soluble crosslinker containing a cleavable disulfide bond. SPDP-C6-Sulfo-NHS ester is reactive toward amine and sulfhydryl groups and can also be used for bioconjugation.

Specifications

Synonyms

BP-22652 | Sulfosuccinimidyl 6-[3-(2-pyridyldithio)propionamido]hexanoate | 3-Pyrrolidinesulfonic acid, 2, 5-dioxo-1-[[1-oxo-6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexyl]oxy]-, monosodium salt | Sulfo-SPDP-C6-NHS sodium | sodium;2, 5-dioxo-1-[6-[3-(pyr

Specifications & Purity

≥90%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2,5-dioxo-1-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate
• InChIKey: ZAPNXDUFCQIHFS-UHFFFAOYSA-M
• INCHI: 1S/C18H23N3O8S3.Na/c22-14(8-11-30-31-15-6-3-5-10-20-15)19-9-4-1-2-7-17(24)29-21-16(23)12-13(18(21)25)32(26,27)28;/h3,5-6,10,13H,1-2,4,7-9,11-12H2,(H,19,22)(H,26,27,28);/q;+1/p-1
• Isomeric SMILES: C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2)S(=O)(=O)[O-].[Na+]
• PubChem CID: 4588467
• Molecular Weight: 527.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Pyrrolidine-2-ones Alkanesulfonic acids Dicarboximides Heteroaromatic compounds Organosulfonic acids Sulfonyls Organic disulfides Lactams Carboxylic acid salts Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Carboxylic acid salt - Lactam - Organic disulfide - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Melt Point(°C): 185-187° C
• Molecular Weight: 527.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 14
• Exact Mass: 527.047 Da
• Monoisotopic Mass: 527.047 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 793.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3