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MedKoo Cat#: 124042 | Name: MB076

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MB076 is a transition state inhibitor, MB076 shows improved plasma stability and inhibits seven different ADC β-lactamase variants with Ki values <1 μM. MB076 acted synergistically in combination with multiple cephalosporins to restore susceptibility. ADC variants containing an alanine duplication in the Ω-loop, specifically ADC-33, exhibited increased activity for larger cephalosporins, such as ceftazidime, cefiderocol, and ceftolozane.

Chemical Structure

MB076
MB076
CAS#2832966-95-5

Theoretical Analysis

MedKoo Cat#: 124042

Name: MB076

CAS#: 2832966-95-5

Chemical Formula: C9H12BN7O5S2

Exact Mass: 373.0400

Molecular Weight: 373.17

Elemental Analysis: C, 28.97; H, 3.24; B, 2.90; N, 26.27; O, 21.44; S, 17.18

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
MB076; MB-076; MB 076
IUPAC/Chemical Name
(R)-1-(2-(2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetamido)-2-boronoethyl)-1H-1,2,3-triazole-4-carboxylic acid
InChi Key
JADCONPWNUDUNV-YFKPBYRVSA-N
InChi Code
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
SMILES Code
NC1=NN=C(SCC(N[C@@H](CN2C=C(C(O)=O)N=N2)B(O)O)=O)S1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 373.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Powers RA, June CM, Fernando MC, Fish ER, Maurer OL, Baumann RM, Beardsley TJ, Taracila MA, Rudin SD, Hujer KM, Hujer AM, Santi N, Villamil V, Introvigne ML, Prati F, Caselli E, Bonomo RA, Wallar BJ. Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter-Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J Med Chem. 2023 Jun 26. doi: 10.1021/acs.jmedchem.3c00144. Epub ahead of print. PMID: 37358467.