Products for Research Use Only

ETP-46464

CAT: 0013-GTR19172389-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172389-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ETP-46464
CAS Number
1345675-02-6
Product Name Alternative
Inhibitor, inhibit, mTOR, ETP-46464, ETP 46464, ETP46464, Mammalian target of Rapamycin, ATM, ATM/ATR, ATM and RAD3 related, Ataxia telangiectasia mutated, ATR, DNA-PK, DNAPK, PI3Kα
Field of Research
Molecular Biology, Signal Transduction
Purity
97.76% (May vary between batches)
Solubility
DMSO:6 mg/mL (12.75 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
CC (C) (C#N) c1ccc (cc1) N1C (=O) OCc2cnc3ccc (cc3c12) -c1cnc2ccccc2c1
Molecular Formula
C30H22N4O2
Molecular Weight
470.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-methyl-2-(4-(2-oxo-9-(quinolin-3-yl)-2,4-dihydro-1H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl)propanenitrile
CAS Number1345675-02-6
PubChem CID72199292
IUPAC Name2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
Molecular FormulaC30H22N4O2
Molecular Weight470.5
XLogP5.6
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity858
SMILES
CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5
InChI
InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
InChIKey
DPLMXAYKJZOTKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-2-(4-(2-oxo-9-(quinolin-3-yl)-2,4-dihydro-1H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl)propanenitrile
CAS: 1345675-02-6
CID: 72199292
Formula: C30H22N4O2
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass470.17427596
Monoisotopic Mass470.17427596
Topological Polar Surface Area79.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes