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CTS-1027

CAT: 1568-C04150-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04150-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
193022-04-7
Synonyms
Ro 11383, RS 1383
Additionnal Information
CTS-1027 is a potent small molecule inhibitor of MMPs, with IC50s of 0.3 nM, 0.5 nM for MMP2, MMP13, respectively, and has > 1,000 fold selectivity over MMP1.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Cts-1027

CTS-1027 has been used in trials studying the treatment of Hepatitis C and Chronic Hepatitis C Virus Infection.

CAS Number193022-04-7
PubChem CID3342298
IUPAC Name4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide
Molecular FormulaC19H20ClNO6S
Molecular Weight425.9
XLogP2.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity615
SMILES
C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NO
InChI
InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
InChIKey
ROSNVSQTEGHUKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cts-1027
CAS: 193022-04-7
CID: 3342298
Formula: C19H20ClNO6S
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass425.0699862
Monoisotopic Mass425.0699862
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes