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Acalisib

CAT: 0931-T2682-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T2682-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870281-34-8
Target
PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9987
Bioactivity
Acalisib (CAL-120) (GS-9820) is a potent and selective inhibitor of PI3Kδ.
Smiles
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Molecular Formula
C21H16FN7O
Molecular Weight
401.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acalisib

Acalisib is under investigation in clinical trial NCT01705847 (A Phase 1b Study Evaluating GS-9820 in Subjects With Lymphoid Malignancies).

CAS Number870281-34-8
PubChem CID11618268
IUPAC Name6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
Molecular FormulaC21H16FN7O
Molecular Weight401.4
XLogP3.2
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity670
SMILES
C[C@@H](C1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
InChI
InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKey
DOCINCLJNAXZQF-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Acalisib
CAS: 870281-34-8
CID: 11618268
Formula: C21H16FN7O
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass401.14003632
Monoisotopic Mass401.14003632
Topological Polar Surface Area99.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity670
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
HY-12644-01Acalisib
A14441-25Acalisib 25mg
A14441-5Acalisib 5mg
A14441-10Acalisib 10mg
B5831-5.1Acalisib (GS-9820)
A14441-100Acalisib (GS-9820) 100mg
A14441-1Acalisib (GS-9820) 1mg
A14441-200Acalisib (GS-9820) 200mg

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