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

CAS: 138046-43-2 Cat. No.: Y287168 분자식: C₃₁H₃₆N₂O 분자량: 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

개요

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

동의어

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

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528768535

정식 스마일

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)

이성체 SMILES

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C

PubChem CID

9911716

분자량

452.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 45.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.53, Max Conc. mM: 10
• 분자량: 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