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Glucokinase activator 1

CAT: 0804-HY-101788Size: 1 EachDry Ice: NoHazardous: No
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Description
Glucokinase activator 1 is a liver-directed glucokinase activator with an EC50 of 34 nM.
CAS Number
1328987-85-4
UNSPSC
12352005
Target
Glucokinase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Glucokinase_activator_1.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=CC=C([C@H](C(NC2=NC=C(OC3=CC=C(C(O)=O)C=C3)S2)=O)OC4=CC=C(F)C=C4F)C=C1)(C5CC5)=O
Molecular Formula
C27H20F2N2O7S2
Molecular Weight
586.58
References & Citations
[1]Deshpande AM, et al. Discovery of liver-directed glucokinase activator having anti-hyperglycemic effect without hypoglycemia. Eur J Med Chem. 2017 Jun 16;133:268-286.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Glucokinase activator 1
CAS Number1328987-85-4
PubChem CID137628629
IUPAC Name4-[[2-[[(2R)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
Molecular FormulaC27H20F2N2O7S2
Molecular Weight586.6
XLogP5.2
Topological Polar Surface Area169
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity995
SMILES
C1CC1S(=O)(=O)C2=CC=C(C=C2)[C@H](C(=O)NC3=NC=C(S3)OC4=CC=C(C=C4)C(=O)O)OC5=C(C=C(C=C5)F)F
InChI
InChI=1S/C27H20F2N2O7S2/c28-17-5-12-22(21(29)13-17)38-24(15-3-8-19(9-4-15)40(35,36)20-10-11-20)25(32)31-27-30-14-23(39-27)37-18-6-1-16(2-7-18)26(33)34/h1-9,12-14,20,24H,10-11H2,(H,33,34)(H,30,31,32)/t24-/m1/s1
InChIKey
XJFUEUNGZVAEIX-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Glucokinase activator 1
CAS: 1328987-85-4
CID: 137628629
Formula: C27H20F2N2O7S2
MW: 586.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass586.06799965
Monoisotopic Mass586.06799965
Topological Polar Surface Area169 Ų
Heavy Atom Count40
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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