MedKoo Cat#: 127886 | Name: CN-CC-861

Description:

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

CN-CC-861 is a Broad-Spectrum, Resistance-Breaking Antibiotic. CN-CC-861, carrying a prop-argyl side chain, had more than 16-fold lower minimal inhibitory concentration (MIC) values against Enterococcus faecalis, Staph-ylococci and Acine to bacter strains, compared to known analogues. Moreover, CN-CC-861 retained activity against multidrug-resistant enterococci, displayed strong bactericidal activity, moderate-low frequencies of resistance and in vivo efficacy in a neutropenic thigh infection model with E. coli. Overall, the findings will guide the design of new promising structures with higher activities and broader spectrum.

Chemical Structure

CN-CC-861
CN-CC-861
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 127886

Name: CN-CC-861

CAS#: N/A

Chemical Formula: C44H36N6O9

Exact Mass: 792.2544

Molecular Weight: 792.81

Elemental Analysis: C, 66.66; H, 4.58; N, 10.60; O, 18.16

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
CN-CC-861; CN-CC 861; CN CC-861; CN CC 861
IUPAC/Chemical Name
(S)-4-(4-(4-(2-(4-(4-cyanobenzamido)benzamido)pent-4-ynamido)benzamido)-2-hydroxy-3-isopropoxybenzamido)benzoic acid
InChi Key
TZYSOLLWZSONKI-BHVANESWSA-N
InChi Code
InChI=1S/C44H36N6O9/c1-4-5-36(50-41(54)29-10-16-31(17-11-29)46-39(52)27-8-6-26(24-45)7-9-27)43(56)48-33-18-12-28(13-19-33)40(53)49-35-23-22-34(37(51)38(35)59-25(2)3)42(55)47-32-20-14-30(15-21-32)44(57)58/h1,6-23,25,36,51H,5H2,2-3H3,(H,46,52)(H,47,55)(H,48,56)(H,49,53)(H,50,54)(H,57,58)/t36-/m0/s1
SMILES Code
O=C(NC1=CC=C(C(N[C@@H](CC#C)C(NC2=CC=C(C(NC3=CC=C(C(NC4=CC=C(C(O)=O)C=C4)=O)C(O)=C3OC(C)C)=O)C=C2)=O)=O)C=C1)C5=CC=C(C#N)C=C5
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 792.81 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
Kohnhäuser D, Seedorf T, Cirnski K, Heimann D, Coetzee J, Sordello S, Richter J, Stappert M, Sabuco JF, Corbett D, Bacqué E, Rox K, Herrmann J, Vassort A, Müller R, Kirschning A, Brönstrup M. Optimization of the Central α-Amino Acid in Cystobactamids to the Broad-Spectrum, Resistance-Breaking Antibiotic CN-CC-861. J Med Chem. 2024 Sep 20. doi: 10.1021/acs.jmedchem.4c00927. Epub ahead of print. PMID: 39303218.