PF 429242 - ≥96% , CAS No.947303-87-9

CAS: 947303-87-9 Cat. No.: P413443 Formule: C₂₅H₃₅N₃O₂ Poids moléculaire: 409.58 Numéro CE: 804-682-8 PubChem CID: 23661637

GRADE & PURITY ≥96%

Synonyms

PF-429242 dihydrochloride | (R)-4-((Diethylamino)methyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-yl)benz amide | AKOS015998619 | HY-13447 | Q27259314 | NCGC00387092-02 | NCGC00387092-01 | NCGC00387092-03 | Benzamide, 4-((diethylamino)methyl)-N-(2-(2-methox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

PF 429242 PF 429242 is known as a S1P inhibitor with an IC50 of 170 nM, showing no significant inhibition of trypsin, elastase, proteinase K, plasmin, kallikren, factor XIa, thrombin, or furin at concentrations up to 100 μM and only modest inhibition of urokinase (IC50 = 50 μM) and factor Xa (IC50 = 100 μM).

Targets

S1P (Cell-free assay) 170 nM

In vitro

In cultured human liver (Hep-G2) cells, PF-429242 prevents proteolytic processing and nuclear translocation of SREBP, reduces the expression of key genes involved in cholesterol synthesis and fatty acid synthesis, and inhibits both pathways in the absence of any cytotoxicity. The addition of PF-429242 suppresses the viral propagation of all serotypes of DENV in several primate-derived cells.

In vivo

PK data for PF-429242 show that it had rapid clearance (CL = 75 ml/min/kg) and poor oral bioavailability (5%) in rats.

Cell Research(from reference)

Cell lines：HeLa cells 

Concentrations：3 to 300 µM 

Incubation Time：72 h 

Specifications

Synonymes

PF-429242 dihydrochloride | (R)-4-((Diethylamino)methyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-yl)benz amide | AKOS015998619 | HY-13447 | Q27259314 | NCGC00387092-02 | NCGC00387092-01 | NCGC00387092-03 | Benzamide, 4-((diethylamino)methyl)-N-(2-(2-methox

Spécifications et pureté

≥96%

Mécanismes biochimiques et physiologiques

PF 429242 is known as a S1P inhibitor with an IC50 of 170 nM, showing no significant inhibition of trypsin, elastase, proteinase K, plasmin, kallikren, factor XIa, thrombin, or furin at concentrations up to 100 μM and only modest inhibition of urokinase (

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 504769457
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769457
• Sourires canoniques: CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3
• IUPAC Name: 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
• InChIKey: XKPJTOHUPQWSOJ-HSZRJFAPSA-N
• INCHI: 1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1
• Isomères SMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)[C@@H]3CCNC3
• PubChem CID: 23661637
• Poids moléculaire: 409.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Tertiary carboxylic acid amides Pyrrolidines Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

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HepG2 (196354 Activities)

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Mus musculus (284745 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 82 mg/mL (200.21 mM)
• Poids moléculaire: 409.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 409.273 Da
• Monoisotopic Mass: 409.273 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 503.000
• 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: 1