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MK-3402

CAT: 0804-HY-148493-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148493-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-3402 (Compound303) is a metallo-beta-lactamase inhibitor, with IC50 values of 0.53, 0.25 and 0.169 nM against IMP-1, NDM-1, and VIM-1, respectively. MK-3402 can be used in bacterial research and shows a synergistic effect when used in combination with beta-lactam antibiotics[1].
CAS Number
2058151-78-1
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/mk-3402.html
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
NS(=O)(C1=C(C2=NN=NN2)C(C3=CN=C(N)C=C3)=CC=C1S(NC[C@H](O)CN)(=O)=O)=O
Molecular Formula
C15H19N9O5S2
Molecular Weight
469.50
References & Citations
[1]Frank Bennett, et al. 3-tetrazolyl-benzene-1,2-disulfonamide derivatives as metallo-beta-lactamase inhibitors. Patent. WO2016210215.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

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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