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ETP-46464

CAT: 0804-HY-15521-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15521-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ETP-46464 is an effective mTOR and ATR inhibitor with IC50s of 0.6 and 14 nM, respectively.
CAS Number
1345675-02-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ATM/ATR; mTOR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/etp-46464.html
Purity
99.54
Solubility
DMSO : 5 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC=C(C(C)(C#N)C)C=C2)C3=C4C(C=CC(C5=CN=C(C=CC=C6)C6=C5)=C4)=NC=C3CO1
Molecular Formula
C30H22N4O2
Molecular Weight
470.52
Precautions
H302, H315, H319, H335
References & Citations
[1]Toledo LI, et al. A cell-based screen identifies ATR inhibitors with synthetic lethal properties for cancer-associated mutations. Nat Struct Mol Biol. 2011 Jun;18 (6) :721-7.|[2]Teng PN, et al. Pharmacologic inhibition of ATR and ATM offers clinically important distinctions to enhancing platinum or radiation response in ovarian, endometrial, and cervical cancer cells. Gynecol Oncol. 2015 Mar;136 (3) :554-61.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ATM; ATR; mTOR

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...
View on PubChemRaw 3D data
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

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Alternative Products

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A8626-25ETP-46464
A13328-2ETP-46464 2mg
A13328-10ETP-46464 10mg
A13328-100ETP-46464 100mg
A13328-50ETP-46464 50mg
A13328-25ETP-46464 25mg
A13328-5ETP-46464 5mg

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