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Managlinat dialanetil

CAT: 0931-T16009L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16009L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
280782-97-0
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9882
Bioactivity
Managlinat dialanetil (MB06322) is an orally available and potent fructose 1,6-bisphosphatase (FBPase) inhibitor with hypoglycaemic activity for the study of type 2 diabetes.
Smiles
C(C(C)C)C1=C(N=C(N)S1)C=2OC(P(N[C@H](C(OCC)=O)C)(N[C@H](C(OCC)=O)C)=O)=CC2
Molecular Formula
C21H33N4O6PS
Molecular Weight
500.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Managlinat Dialanetil

CS-917 is a novel inhibitor of fructose 1,6-bisphphosphatase (FBPase) which is one of the rate-limiting enzymes of gluconeogenesis.

CAS Number280782-97-0
PubChem CID9811837
IUPAC Nameethyl (2S)-2-[[[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
Molecular FormulaC21H33N4O6PS
Molecular Weight500.6
XLogP3.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity684
SMILES
CCOC(=O)[C@H](C)NP(=O)(C1=CC=C(O1)C2=C(SC(=N2)N)CC(C)C)N[C@@H](C)C(=O)OCC
InChI
InChI=1S/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)/t13-,14-/m0/s1
InChIKey
BYKBUQDQTLDNLE-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Managlinat Dialanetil
CAS: 280782-97-0
CID: 9811837
Formula: C21H33N4O6PS
MW: 500.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass500.18584296
Monoisotopic Mass500.18584296
Topological Polar Surface Area174 Ų
Heavy Atom Count33
Formal Charge0
Complexity684
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

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