SM-102 - ≥95% , CAS No.2089251-47-6

CAS: 2089251-47-6 Cat. No.: S1507326 Molecular Weight: 710.17

GRADE & PURITY ≥95%

Storage

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

Shipped In

Ice chest + Ice pads

Overview

SM-102 is an ionizable amino lipid that can be used for the formation of lipid nanoparticles ( LNPs ). SM-102 has the potential for development of lipid nanoparticles for delivery of mRNA-based vaccines .

Form:Liquid

Specifications

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

SM-102 is an ionizable amino lipid that can be used for the formation of lipid nanoparticles ( LNPs ). SM-102 has the potential for development of lipid nanoparticles for delivery of mRNA-based vaccines.

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

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO
• IUPAC Name: heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-undecoxyhexyl)amino]octanoate
• InChIKey: BGNVBNJYBVCBJH-UHFFFAOYSA-N
• INCHI: 1S/C44H87NO5/c1-4-7-10-13-16-17-18-24-32-41-49-43(47)35-29-25-31-38-45(39-40-46)37-30-23-19-22-28-36-44(48)50-42(33-26-20-14-11-8-5-2)34-27-21-15-12-9-6-3/h42,46H,4-41H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO
• Alternate CAS: 2089251-47-6
• MeSH Entry Terms: 1-octylnonyl 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)octanoate;octanoic acid, 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)-, 1-octylnonyl ester;SM-102
• Molecular Weight: 710.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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: Ethanol : ≥ 100 mg/mL (140.81 mM) DMSO : 100 mg/mL (140.81 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 710.200 g/mol
• XLogP3: 15.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 43
• Exact Mass: 709.658 Da
• Monoisotopic Mass: 709.658 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 686.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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