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PX-316

CAT: 0013-GTR19210427-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210427-01Size:25 mg
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Description
PX-316 is a potent and selective AKT inhibitor with demonstrated antitumor efficacy in mouse xenograft models of MCF-7 breast and HT-29 colon cancers. It effectively suppresses Akt signaling in vivo and is well-tolerated when formulated for intravenous delivery, making it a valuable research tool for studying the PI3K/Akt pathway in oncology and cancer therapeutics.
CAS Number
253440-95-8
Smiles
O (P (OC[C@@H] (COCCCCCCCCCCCCCCCCCC) OC) (=O) O) [C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) C[C@H]1O
Molecular Formula
C28H57O10P
Molecular Weight
584.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

chiro-Inositol, 1-deoxy-, 5-hydrogen (3R)-3-methoxy-4-(octadecyloxy)butylphosphate
CAS Number253440-95-8
PubChem CID399457
IUPAC Name[(2R)-2-methoxy-3-octadecoxypropyl] [(1R,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl] hydrogen phosphate
Molecular FormulaC28H57O10P
Molecular Weight584.7
XLogP5.3
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Heavy Atom Count39
Formal Charge0
Complexity625
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@@H]1[C@@H](C[C@H]([C@@H]([C@H]1O)O)O)O)OC
InChI
InChI=1S/C28H57O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21-23(35-2)22-37-39(33,34)38-28-25(30)20-24(29)26(31)27(28)32/h23-32H,3-22H2,1-2H3,(H,33,34)/t23-,24-,25-,26+,27-,28-/m1/s1
InChIKey
GJZGRYXGQBWBEB-AVMFAVRISA-N
Chemical Structure
2D Structure
2D structure of chiro-Inositol, 1-deoxy-, 5-hydrogen (3R)-3-methoxy-4-(octadecyloxy)butylphosphate
CAS: 253440-95-8
CID: 399457
Formula: C28H57O10P
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP35.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Exact Mass584.36893501
Monoisotopic Mass584.36893501
Topological Polar Surface Area155 Ų
Heavy Atom Count39
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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