Cts-1027
Basic information
- CAS
193022-04-7- Standard SMILES
O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1- InChIKey
ROSNVSQTEGHUKU-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO6S
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.0699862
Overview
CTS-1027 has been used in trials studying the treatment of Hepatitis C and Chronic Hepatitis C Virus Infection.
Names & identifiers
- Preferred name
- Cts-1027
- IUPAC
- 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide
- English name
- CTS-1027
- Molecular formula
- C19H20ClNO6S
- Molecular weight
- 425.88
Names & synonyms
CTS-1027193022-04-7RS-130830Ro-11308304-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE2H-Pyran-4-carboxamide, 4-(((4-(4-chlorophenoxy)phenyl)sulfonyl)methyl)tetrahydro-N-hydroxy-2QD3F582244-(4-(4-Chloro-phenoxy)-benzenesulfonylmethyl)-tetrahydro-pyran-4-carboxylic acid hydroxyamideDTXSID901729074-(((4-(4-CHLOROPHENOXY)PHENYL)SULFONYL)-METHYL) TETRAHYDRO-N-HYDROXY-2H-PYRAN-4-CARBOXAMIDERefChem:579508DTXCID4095398
Show more names
RS130830Ro1130830RS 130830Ro 1130830RS 130830, Ro-1130830RS 130830RO 1130830CTS1027CTS 1027RS130830RO11308304-[[[4-(4-Chlorophenoxy)phenyl]sulfonyl]methyl]tetrahydro-N-hydroxy-2H-pyran-4-carboxamide
4-((4-(4-chlorophenoxy)benzenesulfonyl)methyl)-N-hydroxyoxane-4-carboxamideCHEMBL440498SCHEMBL2381112BDBM11863830c4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide4-(((4-(4-chlorophenoxy)phenyl)sulfonyl)methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamideCS-0281
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in DMSO
- form
- A solid
- pka
- 9.27 · 9.27±0.23(Predicted)
- color
- White to off-white
- FDA UNII
- 2 QD3F58224 · 2QD3F58224
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H315-H319
- Precautionary statements
- 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H228-H315-H319
- Precautionary statements
- P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesCTS-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.
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Compound notes
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