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MK-3402

CAT: 0013-GTR19212111-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212111-03Size:100 mg
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Description
MK-3402 is a metallo-β-lactamase inhibitor for research use. It is employed in studies targeting antibiotic-resistant bacteria, demonstrating inhibitory activity in both in vitro enzymatic assays and in vivo infection models to investigate combination therapies.
CAS Number
2058151-78-1
Field of Research
Infectious Disease & Virology
Smiles
S (N) (=O) (=O) C1=C (C (=CC=C1S (NC[C@@H] (CN) O) (=O) =O) C=2C=CC (N) =NC2) C=3NN=NN3
Molecular Formula
C15H19N9O5S2
Molecular Weight
469.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-N-[(2R)-3-amino-2-hydroxypropyl]-4-(6-amino-3-pyridinyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CAS Number2058151-78-1
PubChem CID135311801
IUPAC Name1-N-[(2R)-3-amino-2-hydroxypropyl]-4-(6-amino-3-pyridinyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
Molecular FormulaC15H19N9O5S2
Molecular Weight469.5
XLogP-2.7
Topological Polar Surface Area263
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity803
SMILES
C1=CC(=NC=C1C2=C(C(=C(C=C2)S(=O)(=O)NC[C@@H](CN)O)S(=O)(=O)N)C3=NNN=N3)N
InChI
InChI=1S/C15H19N9O5S2/c16-5-9(25)7-20-31(28,29)11-3-2-10(8-1-4-12(17)19-6-8)13(14(11)30(18,26)27)15-21-23-24-22-15/h1-4,6,9,20,25H,5,7,16H2,(H2,17,19)(H2,18,26,27)(H,21,22,23,24)/t9-/m1/s1
InChIKey
FPDSKARHYNDHLY-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of 1-N-[(2R)-3-amino-2-hydroxypropyl]-4-(6-amino-3-pyridinyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CAS: 2058151-78-1
CID: 135311801
Formula: C15H19N9O5S2
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP3-2.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass469.09505709
Monoisotopic Mass469.09505709
Topological Polar Surface Area263 Ų
Heavy Atom Count31
Formal Charge0
Complexity803
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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