Name: Name:(E)-Methyl 2-(2-Methoxy-5-((2′,4′,6′-triMethoxystyrylsulfonyl)Methyl)phenylaMino)acetate
Brand: Angene
SKU: AG00ECB9
Rating: 90 (10 reviews)

(E)-Methyl 2-(2-Methoxy-5-((2′,4′,6′-triMethoxystyrylsulfonyl)Methyl)phenylaMino)acetate

CAS No.:

592542-61-5

Catalog Number:

AG00ECB9

Molecular Formula:

C22H27NO8S

Molecular Weight:

465.5167

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Product Description

Catalog Number:

AG00ECB9

Chemical Name:

(E)-Methyl 2-(2-Methoxy-5-((2′,4′,6′-triMethoxystyrylsulfonyl)Methyl)phenylaMino)acetate

CAS Number:

592542-61-5

Molecular Formula:

C22H27NO8S

Molecular Weight:

465.5167

MDL Number:

MFCD12032134

IUPAC Name:

methyl 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetate

InChI:

InChI=1S/C22H27NO8S/c1-27-16-11-20(29-3)17(21(12-16)30-4)8-9-32(25,26)14-15-6-7-19(28-2)18(10-15)23-13-22(24)31-5/h6-12,23H,13-14H2,1-5H3/b9-8+

InChI Key:

XQGFPRPZKFBYNA-CMDGGOBGSA-N

SMILES:

COC(=O)CNc1cc(ccc1OC)CS(=O)(=O)/C=C/c1c(OC)cc(cc1OC)OC

Properties

Complexity:

693

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

465.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

465.517g/mol

Monoisotopic Mass:

465.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

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