PF 06424439 - 10mM in DMSO , CAS No.1469284-79-4

CAS: 1469284-79-4 Cat. No.: P421707 Summenformel: C₂₃H₃₀ClN₇O₄S Molekulargewicht: 536.05 PubChem CID: 89854212

GRADE & PURITY 10mM in DMSO

Synonyms

[(3R)-1-[2-[1-(4-Chloro-1H-pyrazol-1-yl)cyclopropyl]-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl]-1-pyrrolidinylmethanone methanesulfonate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Application

PF-06424439 has been used as a diacylglycerol acyltransferase 2 (DGAT2) inhibitor:

to study its effects on cell mortality and lipid synthesis in epithelial colon cells and colorectal cancer stem cells

to study its effects on HeLa cells

to study its inhibitory effects on neutral lipid synthesis in HT-1080 cells

Specifications

Synonyme

[(3R)-1-[2-[1-(4-Chloro-1H-pyrazol-1-yl)cyclopropyl]-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl]-1-pyrrolidinylmethanone methanesulfonate

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Potent and selective DGAT2 inhibitor (IC50= 14 nM). Exhibits no significant activity at MGAT1-3 or DGAT1. Reduces triglyderide synthesis in human hepatocytesin vitro. Reduces plasma triglyceride and cholesterol levels in a rat dyslipidemia model. Orally b

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528766580
• Kanonisches Lächeln: CS(=O)(=O)O.C1CCN(C1)C(=O)C2CCCN(C2)C3=NC4=C(C=C3)NC(=N4)C5(CC5)N6C=C(C=N6)Cl
• IUPAC Name: [(3R)-1-[2-[1-(4-chloropyrazol-1-yl)cyclopropyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;methanesulfonic acid
• InChIKey: ZSTFDNQQOJUJFL-XFULWGLBSA-N
• INCHI: 1S/C22H26ClN7O.CH4O3S/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28;1-5(2,3)4/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27);1H3,(H,2,3,4)/t15-;/m1./s1
• Isomere SMILES: CS(=O)(=O)O.C1CCN(C1)C(=O)[C@@H]2CCCN(C2)C3=NC4=C(C=C3)NC(=N4)C5(CC5)N6C=C(C=N6)Cl
• WGK Deutschland: 3
• PubChem CID: 89854212
• Molekulargewicht: 536.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Piperidinecarboxamides N-acylpyrrolidines Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Pyrazoles Organosulfonic acids Alkanesulfonic acids Methanesulfonates Imidazoles Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Not available
• Substituents: Imidazopyridine - 3-piperidinecarboxamide - Piperidinecarboxamide - N-acylpyrrolidine - Dialkylarylamine - Aminopyridine - Aryl chloride - Aryl halide - Imidolactam - Piperidine - Pyridine - Azole - Imidazole - Methanesulfonate - Heteroaromatic compound - Alkanesulfonic acid - Tertiary carboxylic acid amide - Pyrazole - Sulfonyl - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Carboxamide group - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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 (menschlich)

DGAT2 Tchem Diacylglycerol O-acyltransferase 2 (1 Activities)

Discover Target: DGAT2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Zugehörige Ziele (nicht menschlich)

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 536.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 535.177 Da
• Monoisotopic Mass: 535.177 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 777.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3