Products for Research Use Only

CC-223

CAT: 1410-M10884-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10884-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, and orally bioavailable inhibitor of mTOR kinase with IC50 of 16 nM.
CAS Number
1228013-30-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
397.4708
Molecular Formula
C21H27N5O3
Notes
Research use only, not for human use.
Receptor
C-Fms|DNA-PK|FLT4|mTOR|PI3K-α

Chemical Information

CC 223

Onatasertib (CC-223) has been used in trials studying the treatment and basic science of Multiple Myeloma, Glioblastoma Multiforme, HepatoCellular Carcinoma, Non-small Cell Lung Cancer, and Diffuse Large B-Cell Lymphoma, among others.

CAS Number1228013-30-6
PubChem CID58298316
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Molecular FormulaC21H27N5O3
Molecular Weight397.5
XLogP1.1
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity581
SMILES
CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O
InChI
InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)
InChIKey
UFKLYTOEMRFKAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CC 223
CAS: 1228013-30-6
CID: 58298316
Formula: C21H27N5O3
MW: 397.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight397.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass397.21138974
Monoisotopic Mass397.21138974
Topological Polar Surface Area100 Ų
Heavy Atom Count29
Formal Charge0
Complexity581
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