TMP-153 - ≥95% , CAS No.128831-46-9

CAS: 128831-46-9 Cat. No.: T275108 Molecular Weight: 437.87 PubChem CID: 125289

GRADE & PURITY ≥95%

Synonyms

SCHEMBL4100046 | CDQDU | BDBM50038923 | N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolinyl)-N'-(2,4-difluorophenyl)urea | Urea, N-(4-(2-chlorophenyl)-6,7-dimethyl-3-quinolinyl)-N'-(2,4-difluorophenyl)- | 1-(4-(2-Chlorophenyl)-6,7-dimethylquinolin-3-yl)-3-(2,

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

SCHEMBL4100046 | CDQDU | BDBM50038923 | N-(4-(2-Chlorophenyl)-6, 7-dimethyl-3-quinolinyl)-N'-(2, 4-difluorophenyl)urea | Urea, N-(4-(2-chlorophenyl)-6, 7-dimethyl-3-quinolinyl)-N'-(2, 4-difluorophenyl)- | 1-(4-(2-Chlorophenyl)-6, 7-dimethylquinolin-3-yl)-3-(2,

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent, non-competitive ACAT inhibitor (IC 50 = 5-10 nM). Inhibits cholesterol esterification (IC 50 values are 150 and 330 nM for L S180 and HepG2 cells respectively). Lowers plasma cholesterol levels and cholesterol absorption in vivo. Orally active.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C(=CN=C2C=C1C)NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl
• IUPAC Name: 1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
• InChIKey: FFKNNBNIAHVVCU-UHFFFAOYSA-N
• INCHI: 1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
• Isomeric SMILES: CC1=CC2=C(C(=CN=C2C=C1C)NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl
• PubChem CID: 125289
• Molecular Weight: 437.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines N-phenylureas Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - N-phenylurea - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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)

Soat1 Acyl coenzyme A:cholesterol acyltransferase 1 (295 Activities)

Discover Target: Soat1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 50 mM
• Molecular Weight: 437.900 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 437.111 Da
• Monoisotopic Mass: 437.111 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 626.000
• 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