Name: Name:(E)-2,4,6-TriMethoxystyryl 4-Methoxy-3-Nitrobenzyl sulfone
Brand: Angene
SKU: AG00ECBA
Rating: 90 (10 reviews)

(E)-2,4,6-TriMethoxystyryl 4-Methoxy-3-Nitrobenzyl sulfone

CAS No.:

592542-52-4

Catalog Number:

AG00ECBA

Molecular Formula:

C19H21NO8S

Molecular Weight:

423.4369

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Product Description

Catalog Number:

AG00ECBA

Chemical Name:

(E)-2,4,6-TriMethoxystyryl 4-Methoxy-3-Nitrobenzyl sulfone

CAS Number:

592542-52-4

Molecular Formula:

C19H21NO8S

Molecular Weight:

423.4369

MDL Number:

MFCD28347606

IUPAC Name:

1,3,5-trimethoxy-2-[(E)-2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]ethenyl]benzene

InChI:

InChI=1S/C19H21NO8S/c1-25-14-10-18(27-3)15(19(11-14)28-4)7-8-29(23,24)12-13-5-6-17(26-2)16(9-13)20(21)22/h5-11H,12H2,1-4H3/b8-7+

InChI Key:

XGRXGRFTLPXXAZ-BQYQJAHWSA-N

SMILES:

COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)[N+](=O)[O-])OC

Properties

Complexity:

642

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

423.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

423.436g/mol

Monoisotopic Mass:

423.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Discovery of a clinical stage multi-kinase inhibitor sodium (E)-2-{2-methoxy-5-[(2',4',6'-trimethoxystyrylsulfonyl)methyl]phenylamino}acetate (ON 01910.Na): synthesis, structure-activity relationship, and biological activity.	Journal of medicinal chemistry 20110922
Synthesis and biological evaluation of benzyl styrylsulfonyl derivatives as potent anticancer mitotic inhibitors.	Bioorganic & medicinal chemistry letters 20110515