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Sinogliatin

CAT: 0931-T28781-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28781-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1191996-10-7
Target
Glucokinase, Others
Related Pathways
Others, Metabolism
Bioactivity
Sinogliatin, a glucokinase activator, is used potentially for the treatment of type 2 diabetes.
Smiles
[C@@H](C(NC1=NN(C[C@@H](CO)O)C=C1)=O)(CC(C)C)N2CC(OC3=C(Cl)C=CC=C3)=CC2=O
Molecular Formula
C22H27ClN4O5
Molecular Weight
462.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-2-(4-(2-Chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(1-((S)-2,3-dihydroxypropyl)-1H-pyrazol-3-yl)-4-methylpentanamide
CAS Number1191996-10-7
PubChem CID57920105
IUPAC Name(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
Molecular FormulaC22H27ClN4O5
Molecular Weight462.9
XLogP1.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity691
SMILES
CC(C)C[C@@H](C(=O)NC1=NN(C=C1)C[C@@H](CO)O)N2CC(=CC2=O)OC3=CC=CC=C3Cl
InChI
InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18-/m0/s1
InChIKey
HMUMWSORCUWQJO-YJBOKZPZSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(4-(2-Chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(1-((S)-2,3-dihydroxypropyl)-1H-pyrazol-3-yl)-4-methylpentanamide
CAS: 1191996-10-7
CID: 57920105
Formula: C22H27ClN4O5
MW: 462.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.9
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass462.1669977
Monoisotopic Mass462.1669977
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3600662-01Sinogliatin
HY-119813-01(S, S) -Sinogliatin

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