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

CAS: 8049-97-6 Cat. No.: M329644 Formule: C₁₈H₁₀N₂O₄ Poids moléculaire: 318.29 Numéro CE: 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

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

La mélanine est un pigment essentiel présent sur les structures de surface des vertébrés, qui contribue à la couleur de la peau. Elle se présente sous trois formes : l'eumélanine, la phéomélanine et la neuromélanine. La mélanine possède des propriétés de chélation des cations et d'oxydoréduction. Elle absorbe fortement la lumière. La mélanine fonctionne comme un pigment chimioprotecteur et photoprotecteur. Les mutations de ce gène sont associées à l'albinisme oculocutané, au vitiligo, au piebaldisme et au syndrome de Waardenburg.

Specifications

Synonymes

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

Spécifications et pureté

Moligand™, Synthetic

Mécanismes biochimiques et physiologiques

La mélanine élimine les substances chimiques réactives et est utilisée comme écran solaire.

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Noms et identifiants

• Pubchem Sid: 504764038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764038
• Sourires canoniques: 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
• Isomères SMILES: CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O
• WGK Allemagne: 1
• CAS alternatif: 8049-97-6
• Termes d'entrée MeSH: Allomelanins;Melanin;Melanins;Phaeomelanins
• Poids moléculaire: 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
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in 1% hydrogen peroxide(pH 10) (1 mg/ml).
• Poids moléculaire: 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

Références

1. Wenjing Ma, Wenxuan Cao, Min Cui, Haifeng Lu, Ranhua Xiong, Chaobo Huang.  (2023)  Biomass-derived 3D evaporator with antifouling and salt-rejecting toward solar-enabled steam generation, desalination, and electricity generation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147404]

2. Qi Yang, Huan Yu, Yiling Qu, Xiaochun Zhang, Ruocheng Xia, Ziwei Wang, Rui Tan, Lei Xiong, Shihan Xi, Jun Wu, Yuzhen Gao, Suhua Zhang, Chengtao Li.  (2022)  Developmental validation of the novel six-dye GoldeneyeTM DNA ID System 35InDel kit for forensic application.  Forensic Sciences Research,      [PMID:36817233] [10.1080/20961790.2021.1945723]

3. Vivian Andoh, Liang Chen, Feifei Zhu, Qi Ge, Lin Ma, Qiang Wang, Keping Chen.  (2022)  The Evaluation of the Biological Effects of Melanin by Using Silkworm as a Model Animal.  Toxins,  14  (7): (421).  [PMID:35878159] [10.3390/toxins14070421]

4. Yu Li, Jianrong Wu, Gareth R. Williams, Shiwei Niu, Jianfeng Zhou, Yanbo Yang, Xuejing Zhang, Zi Fu, Dejian Li, Li-Min Zhu.  (2019)  Synergistic Chemo-Photothermal Suppression of Cancer by Melanin Decorated MoOx Nanosheets.  ACS Applied Bio Materials,      [PMID:35021449] [10.1021/acsabm.9b00600]

5. Zhiqiang Fang, Yangkai Xiong, Lei Huang, Jipeng Li, Daxiong Hu, Qitong Mao, Hao Jiang, Xuewei Tang, Panpan Tang, Zheng Li, Guoqing Wang.  (2024)  NIR-triggered self-healing SiO2/melanin coatings with enhanced corrosion-resistant and mechanical robustness.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151273]