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GDC 0941 bimesylate

CAT: 0926-FG23650-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FG23650-01Size:2 mg
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CAS Number
957054-33-0
Synonyms
2- (1H-Indazol-4-yl) -6-[[4- (methylsulfonyl) -1-piperazinyl]methyl]-4- (4-morpholinyl) thieno[3,2-d]pyrimidine methanesulfonate
MDL Number
MFCD21608527
Smiles
CS (=O) (=O) N1CCN (CC1) CC2=CC3=C (S2) C (=NC (=N3) C4=C5C=NNC5=CC=C4) N6CCOCC6.CS (=O) (=O) O.CS (=O) (=O) O
Molecular Formula
C25H35N7O9S4
Molecular Weight
705.85 g/mol
Controlled
No

Chemical Information

Pictilisib Bismesylate

Pictilisib Bismesylate is the orally bioavailable bismesylate salt of pictilisib, a small molecule inhibitor of class I phosphatidylinositol 3 kinase (PI3K), with potential antineoplastic activity. Upon administration, pictilisib selectively binds to PI3K in an ATP-competitive manner, inhibiting the production of the secondary messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3) and activation of the PI3K/Akt signaling pathway. This may result in inhibition of tumor cell growth, motility and survival in susceptible tumor cell populations. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis; dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.

CAS Number957054-33-0
PubChem CID56972143
IUPAC Name4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid
Molecular FormulaC25H35N7O9S4
Molecular Weight705.9
Topological Polar Surface Area270
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Heavy Atom Count45
Formal Charge0
Complexity924
SMILES
CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C23H27N7O3S2.2CH4O3S/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;2*1-5(2,3)4/h2-4,13-14H,5-12,15H2,1H3,(H,24,27);2*1H3,(H,2,3,4)
InChIKey
RFRIKACSFOTIMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pictilisib Bismesylate
CAS: 957054-33-0
CID: 56972143
Formula: C25H35N7O9S4
MW: 705.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight705.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Exact Mass705.13791041
Monoisotopic Mass705.13791041
Topological Polar Surface Area270 Ų
Heavy Atom Count45
Formal Charge0
Complexity924
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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