Home >> Chemicals Listing >> hot product list by P  

Phenol,3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]- (371935-74-9)

Identification
Name:Phenol,3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-
Synonyms:PI 103;PIK103;PI 103 hydrochloride;
CAS:371935-74-9
Molecular Formula: C19H16N4O3
Molecular Weight: 384.82
InChI: InChI=1/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Molecular Structure: (C19H16N4O3) PI 103;PIK103;PI 103 hydrochloride;
Properties
Density:1.409 g/cm3
Refractive index:1.712
Specification:

The cas register number of PI 103 hydrochloride is 371935-74-9. It also can be called as 3-[4-(4-Morpholinylpyrido[3',2',4,5]furo[3,2-d]pyrimidin-2-yl]phenol hydrochloride and the Systematic name about this chemical is 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol.

Physical properties about PI 103 hydrochloride are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 139; (7)ACD/KOC (pH 7.4): 138; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 84.51Å2; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 96.795 cm3; (14)Molar Volume: 247.156 cm3; (15)Polarizability: 38.373x10-24cm3; (16)Surface Tension: 72.024 dyne/cm; (17)Flash Point: 268.438 °C; (18)Enthalpy of Vaporization: 82.309 kJ/mol; (19)Boiling Point: 520.25 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
(2)InChI: InChI=1/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
(3)InChIKey: TUVCWJQQGGETHL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
(5)Std. InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N

Biological Activity: Inhibitor of DNA-PK, PI 3-kinase (p110 α ) and mTOR (IC 50 values are 2, 8, 20, 26, 48, 83, 88, 150, 850, 920, ~ 1000 and 2300 nM for DNA-PK, p110 α , mTORC1, PI3KC2 β , p110 δ , mTORC2, p110 β , p110 γ , ATR, ATM, PI3KC2 α and hsVPS34 respectively). Inhibits growth of human tumor xenografts in mice in vivo .
Safety Data
 

Other Product