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Samotolisib

CAT: 0804-HY-12513-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12513-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Samotolisib (LY3023414) potently and selectively inhibits class I PI3K isoforms, DNA-PK, and mTORC1/2 with IC50s of 6.07 nM, 77.6 nM, 38 nM, 23.8 nM, 4.24 nM and 165 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ, DNA-PK and mTOR, respectively. Samotolisib potently inhibits mTORC1/2 at low nanomolar concentrations[1][2].
CAS Number
1386874-06-1
Product Name Alternative
LY3023414
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
Autophagy; DNA-PK; mTOR; PI3K
Type
Reference compound
Related Pathways
Autophagy; Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/LY3023414.html
Purity
99.27
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(N1C[C@@H](OC)C)N(C)C2=C1C3=CC(C4=CC(C(C)(O)C)=CN=C4)=CC=C3N=C2
Molecular Formula
C23H26N4O3
Molecular Weight
406.48
Precautions
H315, H319, H320
References & Citations
[1]Wei L, et al. Genomic profiling is predictive of response to CDDP treatment but not to PI3K inhibition in bladder cancer patient-derived xenografts. Oncotarget. 2016 Nov 22;7 (47) :76374-76389.|[2]Smith MC, et al. Characterization of LY3023414, a Novel PI3K/mTOR Dual Inhibitor Eliciting Transient Target Modulation to Impede Tumor Growth. Mol Cancer Ther. 2016 Oct;15 (10) :2344-2356
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
MTOR; mTORC1; mTORC2; PI3Kα; PI3Kβ; PI3Kγ; PI3Kδ

Chemical Information

Samotolisib

LY3023414 has been used in trials studying the treatment of Neoplasm, Solid Tumor, COLON CANCER, BREAST CANCER, and Advanced Cancer, among others.

CAS Number1386874-06-1
PubChem CID57519748
IUPAC Name8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
Molecular FormulaC23H26N4O3
Molecular Weight406.5
XLogP1.7
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity630
SMILES
C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC
InChI
InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
InChIKey
ACCFLVVUVBJNGT-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Samotolisib
CAS: 1386874-06-1
CID: 57519748
Formula: C23H26N4O3
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass406.20049070
Monoisotopic Mass406.20049070
Topological Polar Surface Area78.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19167989-01Samotolisib
C13343-5mgSamotolisib (LY3023414)

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