Products for Research Use Only

MLN1117

CAT: 0013-GTR19164130-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164130-02Size:2 mg
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Description
MLN1117 (INK1117, TAK-117, Serabelisib) is a potent, selective PI3K p110α inhibitor with IC50 of 15 nM, displays >300-fold selectivity over p110β/γ/δ and mTOR; inhibits AKT phosphorylation and growth in PIK3CA mutant breast cancer cells with IC50 of 2 uM, significantly suppresses B cell proliferation driven by anti-IgM alone but not by anti-IgM plus IL-4; abrogates immune checkpoint mediated proliferation in peripheral T-cell lymphoma combined with alisertib.Breast Cancer Phase 2 Clinical (In Vitro) :Serabelisib (MLN1117) inhibits Akt phosphorylation and growth in PIK3CA mutant breast cancer cells with IC50s around 2 μM, yet has no effect on cells lacking PTEN. BCR-stimulated B cells treated with 1 μM Serabelisib (MLN1117) displays a significant reduction (up to 50%) in the magnitude of the phosphorylated Akt (p-Akt) signal measured by intracellular flow cytometry. The effect of Serabelisib is dose-dependent. (In Vivo) :Treatment with Serabelisib (MLN1117) at 30 and 60 mg/kg causes little reduction of TNP-specific IgG3. Notably, reduction of TNP-specific IgG3 at higher doses of Serabelisib (MLN1117) (120 mg/kg) is observed, consistent with the partial reduction in cell division in B cells treated with Serabelisib before anti-IgM stimulation. However, 120 mg/kg is above the effective dose of Serabelisib (MLN1117) for tumor growth inhibition (30-60 mg/kg) .
CAS Number
1268454-23-4
Product Name Alternative
INK1117 | TAK-117 | TAK117 | Serabelisib | INK 1117
Purity
>98% (HPLC)
Solubility
DMSO: 6.4 mg/mL (Need ultrasonic or warming)
Smiles
O=C (C1=CN=C2C=CC (C3=CC=C (OC (N) =N4) C4=C3) =CN21) N5CCOCC5
Molecular Formula
C19H17N5O3
Molecular Weight
363.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Methanone, [6- (2-amino-5-benzoxazolyl) imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-

Chemical Information

Serabelisib

Serabelisib is under investigation in clinical trial NCT02625259 (A Study to Evaluate the Relative Bioavailability, Effect of Food, and Gastric Potential Hydrogen (pH) Modification on the Pharmacokinetics of TAK-117 (MLN1117) in Healthy Participants).

CAS Number1268454-23-4
PubChem CID70798655
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
Molecular FormulaC19H17N5O3
Molecular Weight363.4
XLogP2.3
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity557
SMILES
C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N
InChI
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKey
BLGWHBSBBJNKJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Serabelisib
CAS: 1268454-23-4
CID: 70798655
Formula: C19H17N5O3
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass363.13313942
Monoisotopic Mass363.13313942
Topological Polar Surface Area98.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity557
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