Myristyl nicotinate - ≥99% , CAS No.273203-62-6

CAS: 273203-62-6 Cat. No.: M646658 Molecular Weight: 319.5 PubChem CID: 531641

GRADE & PURITY ≥99%

Synonyms

Tetradecyl nicotinate | Tetradecan-1-ol, nicotinate | MFCD16620608 | SCHEMBL135491 | s10627 | Myristyl nicotinate | HY-133027 | MYRISTYL NICOTINATE [INCI] | UNII-8QWM6I035C | tetradecylnicotinate | C20H33NO2 | SY025969 | FT-0738775 | PRO-NAD | Q27270911 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Myristyl nicotinate (Tetradecyl nicotinate) is an ester proagent and a lipophilic derivative of Nicotinic acid. Myristyl nicotinate is being developed for delivery of Nicotinic acid into the skin for prevention of actinic keratosis and its progression to skin cancer. Myristyl nicotinate shows to stimulate epidermal differentiation in photodamaged skin, increasing skin NAD content and strengthening the skin barrier.

In Vitro

Myristyl nicotinate (Tetradecyl nicotinate) is used for treatment and prevention of conditions that involve skin barrier impairment such as chronic photodamage and atopic dermatitis or for mitigating skin barrier impairment that results from therapy such as retinoids or steroids. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

Tetradecyl nicotinate | Tetradecan-1-ol, nicotinate | MFCD16620608 | SCHEMBL135491 | s10627 | Myristyl nicotinate | HY-133027 | MYRISTYL NICOTINATE [INCI] | UNII-8QWM6I035C | tetradecylnicotinate | C20H33NO2 | SY025969 | FT-0738775 | PRO-NAD | Q27270911 |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Myristyl nicotinate (Tetradecyl nicotinate) is an ester proagent and a lipophilic derivative of Nicotinic acid. Myristyl nicotinate is being developed for delivery of Nicotinic acid into the skin for prevention of actinic keratosis and its progression to

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

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCOC(=O)C1=CN=CC=C1
• IUPAC Name: tetradecyl pyridine-3-carboxylate
• InChIKey: TVGLGJWCZSCAEM-UHFFFAOYSA-N
• INCHI: 1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCOC(=O)C1=CN=CC=C1
• Alternate CAS: 273203-62-6
• PubChem CID: 531641
• MeSH Entry Terms: myristyl nicotinate
• Molecular Weight: 319.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 9.62 mg/mL (30.11 mM; Need ultrasonic)
• Molecular Weight: 319.500 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 319.251 Da
• Monoisotopic Mass: 319.251 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 281.000
• 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