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MDL-73811

CAT: 0013-GTR19208225-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208225-02Size:50 mg
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Description
MDL-73811 is a potent and selective inhibitor of S-adenosylmethionine decarboxylase (AdoMetDC) with demonstrated anti-trypanosomal activity. It has shown efficacy in curing Brucella infections in murine models, though its development is limited by rapid clearance and poor blood-brain barrier penetration. This compound is a valuable research tool for studying polyamine metabolism in parasites and bacterial infections.
CAS Number
123642-27-3
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (CN (C/C=C\CN) C) [C@H]1O
Molecular Formula
C15H23N7O3
Molecular Weight
349.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mdl-73811

structure given in first source; RN given refers to (Z)-isomer

CAS Number123642-27-3
PubChem CID6436013
IUPAC Name(2R,3S,4R,5R)-2-[[[(Z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Molecular FormulaC15H23N7O3
Molecular Weight349.39
XLogP-1.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
CN(C/C=C\CN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/m1/s1
InChIKey
YWJCZGDVJQLZET-GGHFOJMISA-N
Chemical Structure
2D Structure
2D structure of Mdl-73811
CAS: 123642-27-3
CID: 6436013
Formula: C15H23N7O3
MW: 349.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.39
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass349.18623762
Monoisotopic Mass349.18623762
Topological Polar Surface Area149 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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