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

CAS: 130726-68-0 Cat. No.: N421194 分子式: C₁₇H₂₂N₂OS 分子量: 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

概要

Information

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

Targets

exosome

Specifications

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

3.456

回転可能な結合

8

名前と識別子

パブケム・シド

528771305

カノニカル・スマイル

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+

異性体SMILES

CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2

PubChem CID

5282433

分子量

302.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 60
• DMSO（mM） 最大溶解度: 198.393016565817
• 水（mg / mL） 最大溶解度: 60
• 水（mM） 最大溶解度: 198.393016565817
• 分子量: 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