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MB076

CAT: 0013-GTR19235000-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235000-01Size:10 mg
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Description
MB076 is a plasma-stable, heterocyclic triazole β-lactamase inhibitor. It potently inhibits multiple Class C Acinetobacter-derived cephalosporinase (ADC) variants (K i <1 μM) and acts synergistically with cephalosporins to overcome resistance. This makes it a valuable research tool for studying ADC enzymology and combination therapies in both in vitro and in vivo antimicrobial resistance models.
CAS Number
2832966-95-5
Field of Research
Infectious Disease & Virology
Smiles
C ([C@H] (NC (CSC=1SC (N) =NN1) =O) B (O) O) N2C=C (C (O) =O) N=N2
Molecular Formula
C9H12BN7O5S2
Molecular Weight
373.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-boronoethyl]triazole-4-carboxylic acid
CAS Number2832966-95-5
PubChem CID168451748
IUPAC Name1-[(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-boronoethyl]triazole-4-carboxylic acid
Molecular FormulaC9H12BN7O5S2
Molecular Weight373.2
Topological Polar Surface Area243
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity464
SMILES
B([C@H](CN1C=C(N=N1)C(=O)O)NC(=O)CSC2=NN=C(S2)N)(O)O
InChI
InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
InChIKey
JADCONPWNUDUNV-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of 1-[(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-boronoethyl]triazole-4-carboxylic acid
CAS: 2832966-95-5
CID: 168451748
Formula: C9H12BN7O5S2
MW: 373.2
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight373.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass373.0434390
Monoisotopic Mass373.0434390
Topological Polar Surface Area243 Ų
Heavy Atom Count24
Formal Charge0
Complexity464
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

Alternative Products

CatalogName
T86864-01MB076

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