Products for Research Use Only
RegisterLogin

Serabelisib

CAT: 0013-GTR19171400-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19171400-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Serabelisib
CAS Number
1268454-23-4
Product Name Alternative
INK 1117, INK1117, INK-1117, mTOR, inhibit, Inhibitor, MLN 1117, MLN1117, MLN-1117, Serabelisib, p110δ, p110γ, p110β, p110α, Phosphoinositide 3-kinase, PI3K, TAK 117, TAK117, TAK-117
Field of Research
Signal Transduction
Purity
95.12% (May vary between batches)
Solubility
DMSO:5 mg/mL (13.76 mM)
Smiles
C (=O) (C=1N2C (=NC1) C=CC (=C2) C=3C=C4C (=CC3) OC (N) =N4) N5CCOCC5
Molecular Formula
C19H17N5O3
Molecular Weight
363.37
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
HY-12285-01Serabelisib
MBS384918-01MLN1117 (Serabelisib)
C13514-100mgSerabelisib (TAK-117)
A15529-2MLN1117 (Serabelisib) 2mg
A15529-1MLN1117 (Serabelisib) 1mg
A15529-500MLN1117 (Serabelisib) 500mg
A15529-100MLN1117 (Serabelisib) 100mg
A15529-5MLN1117 (Serabelisib) 5mg
A15529-10mM-DMLN1117 (Serabelisib) 10mM * 1mL in DMSO

Popular Products