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Sonolisib

CAT: 0804-HY-N6775-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-N6775-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sonolisib (PX-866), an improved Wortmannin analogue, is an oral, irreversible, and pan-isoform inhibitor of PI3K (IC50=0.1 nM (p110α), 1.0 nM (p120γ), 2.9 nM (p110δ) ) . Antitumor activity[1][2].
CAS Number
502632-66-8
Product Name Alternative
PX-866
UNSPSC
12352005
Hazard Statement
H302+H312+H332, H315, H319
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sonolisib.html
Purity
99.00
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C([C@@](CC2)([H])[C@@]3(C)C2=O)=C([C@H](OC(C)=O)C3)[C@]4(C)C(/C(C(O[C@@H]4COC)=O)=C\N(CC=C)CC=C)=C1O
Molecular Formula
C29H35NO8
Molecular Weight
525.59
Precautions
H302+H312+H332, H315, H319
References & Citations
[1]Ihle NT, et al. The phosphatidylinositol-3-kinase inhibitor PX-866 overcomes resistance to the epidermal growthfactor receptor inhibitor ZD1839 in A-549 human non-small cell lung cancer xenografts. Mol Cancer Ther. 2005 Sep;4 (9) :1349-57.|[2]Bowles DW, et al. A Randomized, Phase II Trial of C225 With or Without PX-866, an Irreversible Oral Phosphatidylinositol 3-Kinase Inhibitor, in Patients With Metastatic Colorectal Carcinoma. Clin Colorectal Cancer. 2016 Dec;15 (4) :337-344.e2.|[3]Sonolisib
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
P120γ; PI3Kα; PI3Kδ

Chemical Information

Sonolisib

PX-866 is an organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a delta-lactone, an organic heterotetracyclic compound, an acetate ester and a tertiary amino compound. It is functionally related to a wortmannin.

CAS Number502632-66-8
PubChem CID9849735
IUPAC Name[(3aR,6E,9S,9aR,10R,11aS)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate
Molecular FormulaC29H35NO8
Molecular Weight525.6
XLogP1.7
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity1200
SMILES
CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C
InChI
InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1
InChIKey
QIUASFSNWYMDFS-NILGECQDSA-N
Chemical Structure
2D Structure
2D structure of Sonolisib
CAS: 502632-66-8
CID: 9849735
Formula: C29H35NO8
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass525.23626707
Monoisotopic Mass525.23626707
Topological Polar Surface Area119 Ų
Heavy Atom Count38
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T16908-01Sonolisib
202360Sonolisib (PX-866)
MBS386676-01PX-866 (Sonolisib)

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