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Briciclib disodium salt 5mg

CAT: 0628-A13649-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13649-5Size:5 mg
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CAS Number
865784-01-6

Chemical Information

Briciclib Sodium

Briciclib Sodium is a benzyl styryl sulfone analog, and a disodium phosphate ester prodrug of ON 013100, with potential antineoplastic activity. Upon hydrolysis, briciclib is converted to ON 013100, which blocks cyclin D mRNA translation and decreases protein expression of cyclin D. This may induce cell cycle arrest and apoptosis in cancer cells overexpressing cyclin D and eventually decrease tumor cell proliferation. This agent may exhibit synergistic antitumor activity in combination with other chemotherapeutic agents. Cyclin D, a member of the cyclin family of cell cycle regulators, plays a key role in cell cycle division and is often overexpressed in a variety of hematologic and solid tumors and is correlated with poor prognosis.

CAS Number865784-01-6
PubChem CID24754472
IUPAC Namedisodium;[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] phosphate
Molecular FormulaC19H21Na2O10PS
Molecular Weight518.4
Topological Polar Surface Area152
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity705
SMILES
COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C19H23O10PS.2Na/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22;;/h5-11H,12H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b8-7+;;
InChIKey
MIBWXNAYNGADJD-MIIBGCIDSA-L
Chemical Structure
2D Structure
2D structure of Briciclib Sodium
CAS: 865784-01-6
CID: 24754472
Formula: C19H21Na2O10PS
MW: 518.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass518.03884360
Monoisotopic Mass518.03884360
Topological Polar Surface Area152 Ų
Heavy Atom Count33
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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