Melanin - Moligand™, Synthetic , CAS No.8049-97-6

CAS: 8049-97-6 Cat. No.: M329644 Formula: C₁₈H₁₀N₂O₄ Molecular Weight: 318.29 EC Number: 232-473-6

GRADE & PURITY Moligand™, Synthetic

Synonyms

6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone | Phaeomelanins

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Melanin is a vital pigment present on the surface structures of vertebrates, which contribute to skin color. It has three forms such as, eumelanin, pheomelanin and neuromelanin. Melanin has cation chelating and redox properties. It is a potent absorbent of light. Melanin functions as a chemoprotective and photoprotective pigment. Mutations in this gene are associated with oculocutaneous albinism, vitiligo, piebaldism and Waardenburg syndrome. 

Specifications

Synonyms

6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone | Phaeomelanins

Specifications & Purity

Moligand™, Synthetic

Biochemical and Physiological Mechanisms

Melanin removes reactive chemicals and is used as a sunscreen.

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.

Grade

Moligand™

Names and Identifiers

Pubchem Sid

504764038

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764038

Canonical Smiles

CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O

IUPAC Name

6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone

InChIKey

XUMBMVFBXHLACL-UHFFFAOYSA-N

INCHI

1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3

Isomeric SMILES

CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O

WGK Germany

1

Alternate CAS

8049-97-6

MeSH Entry Terms

Allomelanins;Melanin;Melanins;Phaeomelanins

Molecular Weight

318.29

Reaxy-Rn

27883843

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27883843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Indolequinones Isoindoles Indoles Quinones Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Indolequinone - Indole - Indole or derivatives - Isoindole - Isoindole or derivatives - Quinone - Vinylogous amide - Pyrrole - Heteroaromatic compound - Cyclic ketone - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 1% hydrogen peroxide(pH 10) (1 mg/ml).
• Molecular Weight: 318.300 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 318.064 Da
• Monoisotopic Mass: 318.064 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 984.000
• 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