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3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone

3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone structure

CAS No:
491871-58-0
Formula:
C18H11BrN2O2
Chemical Name:
3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone
Synonyms:
3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone;TCS PIM-1 1;SC 204330;6-(5-Bromo-2-hydroxyphenyl)-1,2-dihydro-2-oxo-4-phenyl-3-pyridinecarbonitrile;TCS PIM-1;TCS PIM-1 1, >=98%
Categories:
Organic Chemistry > Nitrogen Compounds

Description

TCS PIM-1 1(sc-204330) is a potent and selective ATP-competitive Pim-1 kianse inhibitor with IC50 of 50 nM, displays good selectivity over Pim-2 and MEK1/MEK2(IC50s >20,000 nM).IC50 value: 50 nM [1]Target: Pim-1TCS PIM-1 1 bound convincingly within the ATP-binding site of Pim-1 suggesting an ATP-competitive inhibitory mechanism. Preliminary data further suggested that 1 lacked in vitro inhibitory activity toward related serine/threonine kinases Pim-2 and MEK1/2 (IC50 > 20 lM). Hence, sma

3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone is a member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively It is a pyridone, a bromophenol and a nitrile.

3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone Basic Attributes

Molecular Weight：

367.19614

Exact Mass：

366.000397

Characteristics

PSA：

73.1

XLogP3：

3.3

Density：

1.6±0.1 g/cm3

Flash Point：

312.2±30.1 °C

Refractive Index：

1.728

Storage Conditions：

Store at +4°C

Computed Properties

Molecular Weight:367.2
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:366.00039
Monoisotopic Mass:366.00039
Topological Polar Surface Area:73.1
Heavy Atom Count:23
Complexity:595
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone

CAS No.: 491871-58-0

Grade: Industrial Grade

Content: 99.0%

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Guide of 3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone

Description
Basic Attributes
Characteristics
Computed Properties
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