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NDM-1 inhibitor-7

CAT: 0931-T205556-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205556-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26151-73-5
Target
Beta-lactamase, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
NDM-1 inhibitor-7 (Compound A8) is an NDM-1 inhibitor with an IC50 of 10.284 μM. It restores the ability of meropenem (MEM) to penetrate the cell wall of Gram-negative bacteria and effectively reinstates MEM's antibacterial activity against NDM-1 positive Escherichia coli. Moreover, NDM-1 inhibitor-7 demonstrates significant efficacy in both Galleria mellonella and murine peritonitis infection models.
Smiles
S=C(SC)NN=CC=1C=CC=CC1O
Molecular Formula
C9H10N2OS2
Molecular Weight
226.319
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CAS Number26151-73-5
PubChem CID135545742
IUPAC Namemethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate
Molecular FormulaC9H10N2OS2
Molecular Weight226.3
XLogP2.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
CSC(=S)N/N=C/C1=CC=CC=C1O
InChI
InChI=1S/C9H10N2OS2/c1-14-9(13)11-10-6-7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)/b10-6+
InChIKey
SATLYQNFXURMCO-UXBLZVDNSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CAS: 26151-73-5
CID: 135545742
Formula: C9H10N2OS2
MW: 226.3
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight226.3
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass226.02345529
Monoisotopic Mass226.02345529
Topological Polar Surface Area102 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19249226-01NDM-1 inhibitor-7
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