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BR-1

CAT: 1410-M24917-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M24917-07Size:200 mg
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Description
BR-1 is a phosphatase of regenerating liver 3 (PRL-3) inhibitor which blocks the migration and invasion of metastatic cancer cells.
CAS Number
893449-38-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
485.21
Molecular Formula
C17H11Br2NO2S2
Notes
Research use only, not for human use.
Receptor
PRL-3

Chemical Information

PRL-3 inhibitor I

5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is an aromatic ether.

CAS Number893449-38-2
PubChem CID11983303
IUPAC Name(5Z)-5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC17H11Br2NO2S2
Molecular Weight485.2
XLogP5.6
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity529
SMILES
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)NC(=S)S3)Br
InChI
InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)/b15-8-
InChIKey
HXNBAOLVPAWYLT-NVNXTCNLSA-N
Chemical Structure
2D Structure
2D structure of PRL-3 inhibitor I
CAS: 893449-38-2
CID: 11983303
Formula: C17H11Br2NO2S2
MW: 485.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.2
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass484.85775
Monoisotopic Mass482.85980
Topological Polar Surface Area95.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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