BB-78485
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MedKoo CAT#: 530554

CAS#: 207732-11-4

Description: BB-78485 is a potent and selective LpxC inhibitor that shows antibacterial activity against a wide range of Gram-negative pathogens. BB-78485 can provide important information for lead optimization and rational design of the effective small-molecule LpxC inhibitors for successful treatment of Gram-negative infections.


Price and Availability

Size Price Shipping out time Quantity
5mg USD 340 2 Weeks
10mg USD 560 2 Weeks
25mg USD 1115 2 Weeks
50mg USD 1575 2 Weeks
100mg USD 2665 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2020-10-25. Prices are subject to change without notice.

BB-78485, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 530554
Name: BB-78485
CAS#: 207732-11-4
Chemical Formula: C23H20N2O4S
Exact Mass: 420.1144
Molecular Weight: 420.483
Elemental Analysis: C, 65.70; H, 4.79; N, 6.66; O, 15.22; S, 7.62


Synonym: BB-78485; BB78485; BB 78485.

IUPAC/Chemical Name: (2R)-N-hydroxy-3-naphthalen-2-yl-2-(naphthalen-2-ylsulfonylamino)propanamide

InChi Key: MMOUXLMPQFMDRD-JOCHJYFZSA-N

InChi Code: InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1

SMILES Code: O=C(NO)[C@H](NS(=O)(C1=CC=C2C=CC=CC2=C1)=O)CC3=CC=C4C=CC=CC4=C3


Technical Data

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


Additional Information

UDP-3-O-(R-3-hydroxymyristol)-N-acetylglucosamine deacetylase (LpxC) is a cytosolic zinc-based deacetylase that catalyzes the first committed step in the biosynthesis of lipid A, which is essential for the survival of Gram-negative bacteria.


References

1: Kalinin DV, Holl R. Insights into the Zinc-Dependent Deacetylase LpxC: Biochemical Properties and Inhibitor Design. Curr Top Med Chem. 2016;16(21):2379-430. Review. PubMed PMID: 27072691.

2: Lee CJ, Liang X, Gopalaswamy R, Najeeb J, Ark ED, Toone EJ, Zhou P. Structural basis of the promiscuous inhibitor susceptibility of Escherichia coli LpxC. ACS Chem Biol. 2014 Jan 17;9(1):237-46. doi: 10.1021/cb400067g. Epub 2013 Oct 31. PubMed PMID: 24117400; PubMed Central PMCID: PMC3947053.

3: Pradhan D, Priyadarshini V, Munikumar M, Swargam S, Umamaheswari A, Bitla A. Para-(benzoyl)-phenylalanine as a potential inhibitor against LpxC of Leptospira spp.: homology modeling, docking, and molecular dynamics study. J Biomol Struct Dyn. 2014;32(2):171-85. doi: 10.1080/07391102.2012.758056. Epub 2013 Feb 5. PubMed PMID: 23383626.

4: Mochalkin I, Knafels JD, Lightle S. Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor. Protein Sci. 2008 Mar;17(3):450-7. doi: 10.1110/ps.073324108. PubMed PMID: 18287278; PubMed Central PMCID: PMC2248309.

5: Clements JM, Coignard F, Johnson I, Chandler S, Palan S, Waller A, Wijkmans J, Hunter MG. Antibacterial activities and characterization of novel inhibitors of LpxC. Antimicrob Agents Chemother. 2002 Jun;46(6):1793-9. PubMed PMID: 12019092; PubMed Central PMCID: PMC127247.