MedKoo Cat#: 571524 | Name: Taniborbactam free base

Description:

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

Taniborbactam, also known as VNRX-5133, is an injectable broad-spectrum β-lactamase inhibitor combined with a marketed β-lactam antibiotic. It may treat complicated urinary tract infections (cUTI) and complicated intra-abdominal infections (cIAI). VNRX-5133 is a novel β-lactamase inhibitor with potent and selective direct inhibitory activity against both serine- and metallo-β-lactamases.

Chemical Structure

Taniborbactam free base
Taniborbactam free base
CAS#1613267-49-4 (free base)

Theoretical Analysis

MedKoo Cat#: 571524

Name: Taniborbactam free base

CAS#: 1613267-49-4 (free base)

Chemical Formula: C19H28BN3O5

Exact Mass: 389.2122

Molecular Weight: 389.26

Elemental Analysis: C, 58.63; H, 7.25; B, 2.78; N, 10.80; O, 20.55

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 #
Synonym
VNRX-5133; VNRX5133; VNRX 5133; Taniborbactam;
IUPAC/Chemical Name
(R)-3-(2-((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2H-benzo[e][1,2]oxaborinine-8-carboxylic acid
InChi Key
PFZUWUXKQPRWAL-OFCDMGMCSA-N
InChi Code
InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16?
SMILES Code
NCCN[C@@H]1CC[C@@H](CC(NC2B(O)OC(C(C(O)=O)=CC=C3)=C3C2)=O)CC1
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 389.26 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
1: Krajnc A, Brem J, Hinchliffe P, Calvopina K, Panduwawala T, Lang PA, Kamps JJAG, Tyrell JM, Widlake E, Saward BG, Walsh TR, Spencer J, Schofield CJ. Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-β-Lactamases. J Med Chem. 2019 Aug 27. doi: 10.1021/acs.jmedchem.9b00911. [Epub ahead of print] PubMed PMID: 31454231. 2: Jean SS, Gould IM, Lee WS, Hsueh PR; International Society of Antimicrobial Chemotherapy (ISAC). New Drugs for Multidrug-Resistant Gram-Negative Organisms: Time for Stewardship. Drugs. 2019 May;79(7):705-714. doi: 10.1007/s40265-019-01112-1. PubMed PMID: 30972660.