ChemicalBook--->CAS DataBase List--->371934-59-7

371934-59-7

371934-59-7 Structure

371934-59-7 Structure
IdentificationBack Directory
[Name]

PIK-inhibitors
[CAS]

371934-59-7
[Synonyms]

MDK34597
p110α-IN-1
INVIVO34597
PIK-inhibitors
P110Α-IN-1;MDK34597
MDK34597 PIK-inhibitors
MDK34597 (PI3K inhibitor)
PIK-inhibitors(p110α-IN-1)
MDK34597; MDK-34597; MDK 34597. PI3K INHIBITOR
3-[4-(MORPHOLIN-4-YL)PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL]ANILINE
Benzenamine, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-
[Molecular Formula]

C19H17N5O2
[MDL Number]

MFCD30475673
[MOL File]

371934-59-7.mol
[Molecular Weight]

347.37
Chemical PropertiesBack Directory
[density ]

1.383±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: soluble
[form ]

A crystalline solid
[pka]

3.31±0.10(Predicted)
[color ]

Light yellow to light brown
[InChI]

InChI=1S/C19H17N5O2/c20-13-4-1-3-12(11-13)17-22-15-14-5-2-6-21-19(14)26-16(15)18(23-17)24-7-9-25-10-8-24/h1-6,11H,7-10,20H2
[InChIKey]

RQPKSOWRJPRYCN-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=CC(C2=NC(N3CCOCC3)=C3OC4=NC=CC=C4C3=N2)=C1
Hazard InformationBack Directory
[Uses]

PI3K-IN-32 (compound 35) is a potent PI3K p110α inhibitor with an pIC50 of 6.85[1].
[References]

[1] Li Y, et al. Pharmacophore modeling and 3D-QSAR analysis of phosphoinositide 3-kinase p110alpha inhibitors. J Mol Model. 2010 Sep;16(9):1449-60. DOI:10.1007/s00894-010-0659-y
Spectrum DetailBack Directory
[Spectrum Detail]

PIK-inhibitors(371934-59-7)1HNMR
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