Rigosertib
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
Molecular Identity
Rigosertib
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
PubChem CID: 6918736
Rigosertib is an N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. It has a role as an EC 2.7.11.21 (polo kinase) inhibitor, an antineoplastic agent, a microtubule-destabilising agent and an apoptosis inducer. It is a conjugate acid of a rigosertib(1-).
2D Structure
Properties
C21H25NO8S
Molecular Formula
451.50
Molecular Weight
g/mol
451.1301
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rigosertib592542-59-167DOW7F9GLON-01910rigosertibumON 01910ON01910CHEBI:145417DTXSID30207984Glycine, N-(2-methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl) methyl)phenyl)-N-(2-Methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl) phenyl)glycine2-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic Acid2-((2-methoxy-5-(((E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonylmethyl)phenyl)amino)acetic acidRefChem:179449DTXCID80130475
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rigosertib
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