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Onatasertib (CC 223)

CAT: 1568-C13026Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13026Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1228013-30-6
Synonyms
ATG-008
SKU
C13026-5mg
Target
MTOR
Applications
PI3K/Akt/mTOR
Smiles
CC (C) (C1=NC=C (C=C1) C2=CN=C3C (=N2) N (C (=O) CN3) C4CCC (CC4) OC) O
Molecular Formula
C21H27N5O3
Additionnal Information
Onatasertib (CC 223) is a potent, selective, and orally bioavailable mTOR inhibitor with IC50 of 16 nM, >200-fold selectivity over the related PI3K-α. Phase 1/2.
Storage Conditions
2 years -80 in solvent

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
Loading 3D structure...
View on PubChemRaw 3D data
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

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