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ML089

CAT: 0804-HY-138802-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138802-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML089 is a potent, selective, and orally available phosphomannose isomerase (PMI) inhibitor with an IC50 of 1.3 µM. ML089 can be used for the research of congenital disorder of glycosylation Ia[1][2].
CAS Number
1306638-12-9
UNSPSC
12352005
Target
Phosphomannose Isomerase (PMI)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ml089.html
Purity
99.86
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC=CC=C2)SC3=C1C=C(F)C=C3
Molecular Formula
C13H8FNOS
Molecular Weight
245.27
References & Citations
[1]Russell Dahl, et al. Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem. 2011 May 26;54 (10) :3661-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-Fluoro-2-phenyl-1,2-benzothiazol-3-one

5-fluoro-2-phenyl-1,2-benzothiazol-3-one is a member of benzothiazoles.

CAS Number1306638-12-9
PubChem CID22416235
IUPAC Name5-fluoro-2-phenyl-1,2-benzothiazol-3-one
Molecular FormulaC13H8FNOS
Molecular Weight245.27
XLogP3.1
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)F
InChI
InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
InChIKey
ZTQXZKHEMCRFEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CAS: 1306638-12-9
CID: 22416235
Formula: C13H8FNOS
MW: 245.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.27
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass245.03106321
Monoisotopic Mass245.03106321
Topological Polar Surface Area45.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
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

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CatalogName
M35404-01ML089

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