Iromycin A - ≥98% , CAS No.213137-53-2

CAS: 213137-53-2 Cat. No.: I275438 Peso molecular: 303.44 PubChem CID: 54732501

GRADE & PURITY ≥98%

Synonyms

2(1H)-Pyridinone, 6-((2E,5E)-3,7-dimethyl-2,5-octadien-1-yl)-4-hydroxy-3-methyl-5-propyl- | IROMYCIN A | LQZ8C7MJ7D | UNII-LQZ8C7MJ7D | AKOS040756301 | BDBM50411904 | Iromycin A; Antibiotic NK 26588 | NK26588 | NK-26588 | 2(1H)-Pyridinone, 6-((2E,5E)-3,7-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

2(1H)-Pyridinone, 6-((2E, 5E)-3, 7-dimethyl-2, 5-octadien-1-yl)-4-hydroxy-3-methyl-5-propyl- | IROMYCIN A | LQZ8C7MJ7D | UNII-LQZ8C7MJ7D | AKOS040756301 | BDBM50411904 | Iromycin A; Antibiotic NK 26588 | NK26588 | NK-26588 | 2(1H)-Pyridinone, 6-((2E, 5E)-3, 7-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective eNOS inhibitor. Shows selectivity for eNOS over nNOS. Inhibits thaxtomin biosynthesis. Mitochondrial electron transport chain inhibitor. α-pyridone metabolite.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771388
• Sonrisas canónicas: CCCC1=C(NC(=O)C(=C1O)C)CC=C(C)CC=CC(C)C
• IUPAC Name: 6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-4-hydroxy-3-methyl-5-propyl-1H-pyridin-2-one
• InChIKey: HVAVEUHAOCVIPN-DTCTWCMCSA-N
• INCHI: 1S/C19H29NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h7,9,11,13H,6,8,10,12H2,1-5H3,(H2,20,21,22)/b9-7+,14-11+
• Isómeros SMILES: CCCC1=C(NC(=O)C(=C1O)C)C/C=C(\C)/C/C=C/C(C)C
• PubChem CID: 54732501
• Peso molecular: 303.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines Hydroxypyridines Dihydropyridines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

Objetivos asociados (humanos)

MCF7 (126967 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

L929 (3802 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 303.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 303.22 Da
• Monoisotopic Mass: 303.22 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 534.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1