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GDC-0941

CAT: 1410-M16834-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M16834-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, orally bioavailable inhibitor of class I PI3Ks with IC50 of 3/33/3/75 nM for p110α/β/γ/δ, respectively.
CAS Number
957054-30-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
513.6356
Molecular Formula
C23H27N7O3S2
Notes
Research use only, not for human use.
Receptor
MTOR|p110α|p110β|p110γ|p110δ

Chemical Information

Pictilisib

Pictrelisib is a sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a thienopyrimidine, a member of piperazines, a sulfonamide, a member of indazoles and a member of morpholines.

CAS Number957054-30-7
PubChem CID17755052
IUPAC Name4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
Molecular FormulaC23H27N7O3S2
Molecular Weight513.6
XLogP1.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity831
SMILES
CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6
InChI
InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pictilisib
CAS: 957054-30-7
CID: 17755052
Formula: C23H27N7O3S2
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass513.16168010
Monoisotopic Mass513.16168010
Topological Polar Surface Area144 Ų
Heavy Atom Count35
Formal Charge0
Complexity831
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

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