Neticonazole - 10mM in DMSO , CAS No.130726-68-0

CAS: 130726-68-0 Cat. No.: N421194 Formula: C₁₇H₂₂N₂OS Peso molecolare: 302.43 PubChem CID: 5282433

GRADE & PURITY 10mM in DMSO

Synonyms

1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole | CHEBI:135281 | CAS-130726-68-0 | Neticonazole [INN] | DTXCID5031422 | NETICONAZOLE [WHO-DD] | starbld0000898 | (E)-1-(2-(Methylthio)-1-(o-(pentyloxy)phenyl)vinyl)imidazole | 1-[(E)-2-methy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

Neticonazole Neticonazole (SS717) is a selecvie inhibitor of exosome biogenesis and secretion. Neticonazole exhibits Neticonazole antifungal and antitumor activity.

Targets

exosome

Specifications

Sinonimi

1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole | CHEBI:135281 | CAS-130726-68-0 | Neticonazole [INN] | DTXCID5031422 | NETICONAZOLE [WHO-DD] | starbld0000898 | (E)-1-(2-(Methylthio)-1-(o-(pentyloxy)phenyl)vinyl)imidazole | 1-[(E)-2-methy

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Neticonazole (SS717) is a selecvie inhibitor of exosome biogenesis and secretion. Neticonazole exhibits Neticonazole antifungal and antitumor activity.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

• ALogP: 3.456
• Legame rotabile: 8

Nomi e identificatori

• Pubchem Sid: 528771305
• Sorrisi canonici: CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2
• IUPAC Name: 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
• InChIKey: VWOIKFDZQQLJBJ-DTQAZKPQSA-N
• INCHI: 1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+
• Isomeri SMILES: CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2
• PubChem CID: 5282433
• Peso molecolare: 302.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Thioenolether - Ether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 60
• DMSO (mM) Solubilità massima: 198.393016565817
• Acqua (mg/mL) Solubilità massima: 60
• Acqua (mM) Solubilità massima: 198.393016565817
• Peso molecolare: 302.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 302.145 Da
• Monoisotopic Mass: 302.145 Da
• Topological Polar Surface Area: 52.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1