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Rigosertib

CAT: 0926-FR137713-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FR137713-03Size:25 mg
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CAS Number
1225497-78-8
Synonyms
ON-01910
Smiles
COC1=C (C=C (C=C1) CS (=O) (=O) /C=C/C2=C (C=C (C=C2OC) OC) OC) NCC (=O) [O-].[Na+]
Controlled
No

Chemical Information

Rigosertib Sodium

Rigosertib sodium is the sodium salt of rigosertib. It is an anti-cancer agent which has been granted Orphan Drug Designation by the FDA for use in patients with myelodysplastic syndromes (MDS). 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 contains a rigosertib(1-).

CAS Number1225497-78-8
PubChem CID23696523
IUPAC Namesodium 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetate
Molecular FormulaC21H24NNaO8S
Molecular Weight473.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity684
SMILES
COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)NCC(=O)[O-].[Na+]
InChI
InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;
InChIKey
VLQLUZFVFXYXQE-USRGLUTNSA-M
Chemical Structure
2D Structure
2D structure of Rigosertib Sodium
CAS: 1225497-78-8
CID: 23696523
Formula: C21H24NNaO8S
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass473.11203218
Monoisotopic Mass473.11203218
Topological Polar Surface Area132 Ų
Heavy Atom Count32
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1288-5Rigosertib
MBS385857-01ON-01910 (rigosertib)
TRC-R590714-100MGRigosertib-d6
GTR19169487-01Rigosertib sodium
C07740-5mgRigosertib (ON-01910)
HY-12037-01Rigosertib (sodium)

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