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PX 866

CAT: 0926-BP162743Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BP162743Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
502632-66-8
MDL Number
MFCD11840616
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
Molecular Formula
C29H35NO8
Molecular Weight
525.59 g/mol
Controlled
No

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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