PD-161570 - ≥98%(HPLC) , CAS No.192705-80-9

CAS: 192705-80-9 Cat. No.: P135784 Fórmula: C₂₆H₃₅Cl₂N₇O Peso molecular: 532.51 Número CE: 663-331-5 PubChem CID: 5328135

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID80416145 | E79105 | HMS3678B11 | 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4- (diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea | PD-161570;PD161570 | Rize (TN) | Ac-Bhg-Leu-Asp-Ile-(NMe)Ile-Trp | N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylam

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

PD-161570 is a selective FGFR inhibitor (IC50 values are 40, 262 and 3700 nM for FGFR, PDGFR and EGFR respectively). PD 161570 inhibits FGFR receptor phosphorylation (IC50 = 622 nM) and growth of A121 cells in vitro.
PD-161570 is a selective FGFR inhibitor (IC50 values are 40, 262 and 3700 nM for FGFR, PDGFR and EGFR respectively). PD 161570 inhibits FGFR receptor phosphorylation (IC50 = 622 nM) and growth of A121 cells in vitro.
A selective FGFR inhibitor

Specifications

Sinónimos

DTXSID80416145 | E79105 | HMS3678B11 | 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4- (diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea | PD-161570;PD161570 | Rize (TN) | Ac-Bhg-Leu-Asp-Ile-(NMe)Ile-Trp | N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylam

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective FGFR inhibitor (IC50values are 40, 262 and 3700 nM for FGFR, PDGFR and EGFR respectively). Inhibits FGFR receptor phosphorylation (IC50= 622 nM) and growth of A121 cellsin vitro.

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504763629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763629
• Sorrisos canónicos: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C
• IUPAC Name: 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
• InChIKey: MKVMEJKNLUWFSQ-UHFFFAOYSA-N
• INCHI: 1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
• SMILES isoméricas: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C
• WGK Alemanha: 3
• PubChem CID: 5328135
• Peso molecular: 532.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Dichlorobenzenes Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - 1,3-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Alvos associados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

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

PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

HCT-8 (3484 Activities)

Explore this target

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

HT-29 (80576 Activities)

Explore this target

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

SW-620 (52400 Activities)

Explore this target

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

PRKD3 Tchem Protein kinase C (PKC) (1010 Activities)

Discover Target: PRKD3

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

PDGFRB Tclin Platelet-derived growth factor receptor (507 Activities)

Discover Target: PDGFRB

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

FGFR3 Tclin Fibroblast growth factor receptor (331 Activities)

Discover Target: FGFR3

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

Alvos associados (não humanos)

Cdk4 Cyclin-dependent kinase 4 (3 Activities)

Discover Target: Cdk4

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

C6 (2371 Activities)

Explore this target

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

Pdgfra Platelet-derived growth factor receptor (PDGFr) (77 Activities)

Discover Target: Pdgfra

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 53.25, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 53.25, Max Conc. mM: 100
• Sensibilidade: Air Sensitive,Heat Sensitive
• Ponto de fusão (°C): 157 °C
• Peso molecular: 532.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 531.228 Da
• Monoisotopic Mass: 531.228 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 665.000
• 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