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NDM-1 inhibitor-7

CAT: 0013-GTR19249226-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249226-01Size:10 mg
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Description
NDM-1 inhibitor-7 (Compound A8) is a small molecule inhibitor of the New Delhi metallo-β-lactamase enzyme with an IC50 of 10.284 μM. It potentiates meropenem activity against resistant E. coli in vitro and demonstrates efficacy in Galleria mellonella and murine infection models, supporting research into novel antibiotic adjuvants.
CAS Number
26151-73-5
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
S=C (SC) NN=CC=1C=CC=CC1O
Molecular Formula
C9H10N2OS2
Molecular Weight
226.319
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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T205556-01NDM-1 inhibitor-7
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