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2H-Imidazo[4,5-c]quinolin-2-one, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-dihydro-3-methyl-8-[6-methyl-5-(1-methylethoxy)-3-pyridinyl]-

HCID 59620037
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1257547-40-2
Standard SMILES
Cc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC(C)C
InChIKey
YWDAJLXJSLKKPA-UHFFFAOYSA-N
Molecular formula
C25H26N6O2
Average molar mass
442.51 g/mol

Names & identifiers

Preferred name
2H-Imidazo[4,5-c]quinolin-2-one, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-dihydro-3-methyl-8-[6-methyl-5-(1-methylethoxy)-3-pyridinyl]-
English name
2H-Imidazo[4,5-c]quinolin-2-one, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-dihydro-3-methyl-8-[6-methyl-5-(1-methylethoxy)-3-pyridinyl]-
Molecular formula
C25H26N6O2
Molecular weight
442.51

Names & synonyms

PI3K-IN-372H-Imidazo[4,5-c]quinolin-2-one, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-dihydro-3-methyl-8-[6-methyl-5-(1-methylethoxy)-3-pyridinyl]-

Database identifiers

CAS
1257547-40-2
PubChem CID
59620037
EC Number
886-477-3

Properties

Physicochemical properties

Boiling point
619.8 · 619.8±65.0 °C(Predicted)
Density
1.31 · 1.31±0.1 g/cm3(Predicted)
pka
5.65 · 5.65±0.20(Predicted)
form
Solid
color
Light yellow to light brown
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H319-H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H319-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesPI3K-IN-37 (Example 84.1) is a PI3K α/β/δ inhibitor with IC50s of 6, 8, 4 nM, respectively. PI3K-IN-37 can also inhibit mTOR (IC50=4 nM)[1].

Related reactions

2 records
New reaction record
HRID 445642 reaction equation
HRID 445642As productuspto-grants-2013_07
HRID 833264 reaction equation
HRID 833264As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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