PTC-028 - 10mM in DMSO , CAS No.1782970-28-8

CAS: 1782970-28-8 Cat. No.: P422168 Summenformel: C₁₉H₁₂F₅N₅ Molekulargewicht: 405.32 PubChem CID: 73427235

GRADE & PURITY 10mM in DMSO

Synonyms

2-​Pyrazinamine,6-​(5,​6-​difluoro-​2-​methyl-​1H-​benzimidazol-​1-​yl)​-​N-​[4-​(trifluoromethyl)​phenyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

PTC-028 PTC-028 is an orally bioavailable compound that decreases BMI-1 levels by posttranslational modification.

Targets

BMI-1

In vitro

PTC-028 is an orally bioavailable compound that decreases BMI-1 levels by posttranslational modification. PTC-028 treatment selectively inhibits cancer cells in clonal growth and viability assays, whereas normal cells remain unaffected. Hyperphosphorylation-mediated depletion of cellular BMI-1 by PTC-028 coupled with a concurrent temporal decrease in ATP and a compromised mitochondrial redox balance potentiates caspase-dependent apoptosis.

In vivo

orally administered PTC-028, as a single agent, exhibits significant antitumor activity comparable with the standard cisplatin/paclitaxel therapy in an orthotopic mouse model of ovarian cancer. After administration of single oral doses to the CD-1 mice, total plasma AUC_0-24h are 10.9 and 26.1 mg/h/mL at doses of 10 and 20 mg/kg, showing dose proportional pharmacokinetics. The Cmax for PTC-028 at 10 and 20 mg/kg is 0.79 and 1.49 mg/mL, respectively. The Cmax is reached at both dose levels 1-hour postdose after which plasma concentrations slowly reduce.

Cell Research(from reference)

Cell lines：Immortalized ovarian surface epithelium (OSE) or the fallopian tube epithelium(FTE) cells and ovarian cancer cells 

Concentrations：0-500 nmol/L 

Incubation Time：48 h 

Specifications

Synonyme

2-​Pyrazinamine,6-​(5,​6-​difluoro-​2-​methyl-​1H-​benzimidazol-​1-​yl)​-​N-​[4-​(trifluoromethyl)​phenyl]​-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

PTC-028 is an orally bioavailable compound that decreases BMI-1 levels by posttranslational modification.

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

Produkteigenschaften

ALogP

5.069

HBD-Zahl

1

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

528766708

Kanonisches Lächeln

CC1=NC2=CC(=C(C=C2N1C3=NC(=CN=C3)NC4=CC=C(C=C4)C(F)(F)F)F)F

IUPAC Name

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

InChIKey

JEZGPBWIZWPDHP-UHFFFAOYSA-N

INCHI

1S/C19H12F5N5/c1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-12-4-2-11(3-5-12)19(22,23)24/h2-9H,1H3,(H,27,28)

Isomere SMILES

CC1=NC2=CC(=C(C=C2N1C3=NC(=CN=C3)NC4=CC=C(C=C4)C(F)(F)F)F)F

PubChem CID

73427235

Molekulargewicht

405.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Benzimidazoles Aniline and substituted anilines Aminopyrazines N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Benzimidazole - Aniline or substituted anilines - Aminopyrazine - Aryl fluoride - Aryl halide - Imidolactam - Pyrazine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 81
• DMSO (mM) Maximale Löslichkeit: 199.8421001
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 405.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 405.101 Da
• Monoisotopic Mass: 405.101 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 556.000
• 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