N-([ε-Maleimidocaproyloxy)sulfosuccinimide ester - ≥98% , CAS No.215312-86-0

CAS: 215312-86-0 Cat. No.: N293062 Molecular Weight: 410.33 EC Number: 842-458-1

GRADE & PURITY ≥98%

Synonyms

6-Maleimidocaproic Acid Sulfo-N-Succinimidyl Ester | sodium;1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate | Sodium 1-((6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate | FT-0670913 | sodium

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

6-Maleimidocaproic Acid Sulfo-N-Succinimidyl Ester | sodium;1-[6-(2, 5-dioxopyrrol-1-yl)hexanoyloxy]-2, 5-dioxopyrrolidine-3-sulfonate | Sodium 1-((6-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)hexanoyl)oxy)-2, 5-dioxopyrrolidine-3-sulfonate | FT-0670913 | sodium

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(C(=O)N(C1=O)OC(=O)CCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
• InChIKey: MIDXXTLMKGZDPV-UHFFFAOYSA-M
• INCHI: 1S/C14H16N2O9S.Na/c17-10-5-6-11(18)15(10)7-3-1-2-4-13(20)25-16-12(19)8-9(14(16)21)26(22,23)24;/h5-6,9H,1-4,7-8H2,(H,22,23,24);/q;+1/p-1
• Isomeric SMILES: C1C(C(=O)N(C1=O)OC(=O)CCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+]
• Molecular Weight: 410.33
• Reaxy-Rn: 21788336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21788336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides Sulfonyls Pyrrolines Organosulfonic acids Alkanesulfonic acids Dicarboximides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic sodium salt - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

• Sensitivity: Moisture sensitive ； Light sensitive ；Heat sensitive ；
• Melt Point(°C): 226-228° C
• Molecular Weight: 410.330 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 410.04 Da
• Monoisotopic Mass: 410.04 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 769.000
• 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

References

1. Zhang Chao, Zhang Fanghua, Han Mengnan, Wang Xuming, Du Jie, Zhang Honglei, Li Wei.  (2020)  Co-delivery of 5-fluorodeoxyuridine and doxorubicin via gold nanoparticle equipped with affibody-DNA hybrid strands for targeted synergistic chemotherapy of HER2 overexpressing breast cancer.  Scientific Reports,  10  (1): (1-14).  [PMID:33328545] [10.1038/s41598-020-79125-0]