MedKoo Cat#: 464638 | Name: BB391

Description:

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

BB391 is a novel inhibitor of PqsE enzymatic activity.

Chemical Structure

BB391
BB391
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464638

Name: BB391

CAS#: unknown

Chemical Formula: C17H13N5O

Exact Mass: 303.1120

Molecular Weight: 303.33

Elemental Analysis: C, 67.32; H, 4.32; N, 23.09; O, 5.27

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
BB391; BB 391; BB-391;
IUPAC/Chemical Name
N-(3-(1H-pyrazol-5-yl)phenyl)-1H-indazole-7-carboxamide
InChi Key
HELOGTPQLUDSEC-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H13N5O/c23-17(14-6-2-4-12-10-19-22-16(12)14)20-13-5-1-3-11(9-13)15-7-8-18-21-15/h1-10H,(H,18,21)(H,19,22)(H,20,23)
SMILES Code
O=C(C1=CC=CC2=C1NN=C2)NC3=CC=CC(C4=CC=NN4)=C3
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
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 303.33 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: Taylor IR, Paczkowski JE, Jeffrey PD, Henke BR, Smith CD, Bassler BL. Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production. ACS Chem Biol. 2021 Apr 16;16(4):740-752. doi: 10.1021/acschembio.1c00049. Epub 2021 Apr 1. PMID: 33793200; PMCID: PMC8056388.