YM 750 - ≥98%(HPLC) , CAS No.138046-43-2

CAS: 138046-43-2 Cat. No.: Y287168 Summenformel: C₃₁H₃₆N₂O Molekulargewicht: 452.63 PubChem CID: 9911716

GRADE & PURITY ≥98%(HPLC)

Synonyms

HY-107396 | NCGC00371091-01 | Urea, N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)- | MS-28238 | J-007090 | YM750 | YM-750 | YM 750 | AKOS024457396 | SCHEMBL4106190 | 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)ure

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

YM-750 ist ein starker Acyl-CoA:Cholesterin-Acyltransferase (ACAT)-Inhibitor (IC50=0,18 μM). ACAT katalysiert die Bildung von Cholesterinestern aus Cholesterin und langkettigem Fett-Acyl-Coenzym A.

Specifications

Synonyme

HY-107396 | NCGC00371091-01 | Urea, N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)- | MS-28238 | J-007090 | YM750 | YM-750 | YM 750 | AKOS024457396 | SCHEMBL4106190 | 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)ure

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Acyl-CoA:Cholesterin-Acyltransferase (ACAT)-Inhibitor (IC50= 0,18μM). Zeigt in vivo eine hypocholesterinämische und antiatherosklerotische Wirkung.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528768535
• Kanonisches Lächeln: CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C
• IUPAC Name: 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
• InChIKey: FMLJREWZCZHGGW-UHFFFAOYSA-N
• INCHI: 1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34)
• Isomere SMILES: CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C
• PubChem CID: 9911716
• Molekulargewicht: 452.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: N-phenylureas Ureas Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - N-phenylurea - Monocyclic benzene moiety - Urea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 45.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.53, Max Conc. mM: 10
• Molekulargewicht: 452.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 452.283 Da
• Monoisotopic Mass: 452.283 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 658.000
• 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