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Midesteine

CAT: 0804-HY-106448-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106448-02Size:5 mg
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Description
Midesteine (MR 889) is a proteinase inhibitor that can inhibit porcine pancreatic elastase, human neutrophil elastase and bovine chymotrypsin. Midesteine has the potential for chronic obstructive pulmonary disease (COPD) and chronic bronchitis research[1].
CAS Number
94149-41-4
Product Name Alternative
MR 889
UNSPSC
12352005
Target
Ser/Thr Protease
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/midesteine.html
Solubility
10 mM in DMSO
Smiles
O=C(SC(C(NC1C(SCC1)=O)=O)C)C2=CC=CS2
Molecular Formula
C12H13NO3S3
Molecular Weight
315.43
References & Citations
[1]M Luisetti, et al. Studies of MR 889, a new synthetic proteinase inhibitor. Biochem Biophys Res Commun. 1989 Dec 15;165 (2) :568-73. |[2]M Luisetti, et al. MR889, a neutrophil elastase inhibitor, in patients with chronic obstructive pulmonary disease: a double-blind, randomized, placebo-controlled clinical trial. Eur Respir J. 1996 Jul;9 (7) :1482-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

S-(1-Methyl-2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl) 2-thiophenecarbothioate

a cyclic thiolic neutrophil elastase inhibitor

CAS Number94149-41-4
PubChem CID65837
IUPAC NameS-[1-oxo-1-[(2-oxothiolan-3-yl)amino]propan-2-yl] thiophene-2-carbothioate
Molecular FormulaC12H13NO3S3
Molecular Weight315.4
XLogP2.7
Topological Polar Surface Area142
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
CC(C(=O)NC1CCSC1=O)SC(=O)C2=CC=CS2
InChI
InChI=1S/C12H13NO3S3/c1-7(19-12(16)9-3-2-5-17-9)10(14)13-8-4-6-18-11(8)15/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKey
MKTVMEMIKNBVHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-(1-Methyl-2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl) 2-thiophenecarbothioate
CAS: 94149-41-4
CID: 65837
Formula: C12H13NO3S3
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass315.00575680
Monoisotopic Mass315.00575680
Topological Polar Surface Area142 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5810652midesteine

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