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Taselisib

CAT: 0931-T1999-09Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T1999-09Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1282512-48-4
Target
PI3K, Carbonic Anhydrase
Related Pathways
Metabolism, PI3K/Akt/mTOR signaling
Purity
0.9979
Bioactivity
Taselisib (GDC-0032) is an orally bioavailable inhibitor of the class I phosphatidylinositol 3-kinase (PI3K) alpha isoform (PIK3CA), with potential antineoplastic activity.
Smiles
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Molecular Formula
C24H28N8O2
Molecular Weight
460.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taselisib

Taselisib has been used in trials studying the treatment and basic science of LYMPHOMA, Breast Cancer, Ovarian Cancer, Solid Neoplasm, and HER2/Neu Negative, among others.

CAS Number1282512-48-4
PubChem CID51001932
IUPAC Name2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide
Molecular FormulaC24H28N8O2
Molecular Weight460.5
XLogP1.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity750
SMILES
CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C
InChI
InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Taselisib
CAS: 1282512-48-4
CID: 51001932
Formula: C24H28N8O2
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass460.23352217
Monoisotopic Mass460.23352217
Topological Polar Surface Area119 Ų
Heavy Atom Count34
Formal Charge0
Complexity750
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-13898-01Taselisib
205746Taselisib (GDC0032)
C12444-1gTaselisib (GDC 0032)
MBS384745-01GDC-0032 (Taselisib)
A12831-2GDC-0032 (Taselisib) 2mg
A12831-100GDC-0032 (Taselisib) 100mg
A12831-200GDC-0032 (Taselisib) 200mg
A12831-500GDC-0032 (Taselisib) 500mg
A12831-10mM-DGDC-0032 (Taselisib) 10mM * 1mL in DMSO

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