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

CAS: 138046-43-2 Cat. No.: Y287168 Molecular Weight: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

YM-750 is a potent acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor (IC50=0.18 μM). ACAT catalyzes the formation of cholesteryl esters from cholesterol and long-chain fatty-acyl-coenzyme A.

Specifications

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor (IC50= 0.18μM). Exhibits hypocholesterolaemic and antiatherosclerotic activityin vivo.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C
• PubChem CID: 9911716
• Molecular Weight: 452.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 45.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.53, Max Conc. mM: 10
• Molecular Weight: 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