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MedKoo Cat#: 563845 | Name: Acorafloxacin TFA

Description:

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

Acorafloxacin, also known as Avarofloxacin, JNJ-Q2 and JNJ-32729463, is a broad-spectrum fluoroquinolone antibacterial drug being developed for the treatment of acute bacterial skin and skin-structure infections and community-acquired pneumonia. Specifically, JNJ-Q2 is being actively studied for treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections.

Chemical Structure

Acorafloxacin TFA
Acorafloxacin TFA
CAS#1160946-14-4 (TFA)

Theoretical Analysis

MedKoo Cat#: 563845

Name: Acorafloxacin TFA

CAS#: 1160946-14-4 (TFA)

Chemical Formula: C23H24F5N3O6

Exact Mass: 419.1657

Molecular Weight: 533.45

Elemental Analysis: C, 51.79; H, 4.53; F, 17.81; N, 7.88; O, 17.99

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 #
878592-87-1 (free base) 1001162-01-1 (HCl) 1160946-14-4 (TFA)
Synonym
JNJ-32729463; JNJ 32729463; JNJ32729463; JNJ-32729463-AAA; JNJ32729463-AAA; JNJ 32729463-AAA; JNJ-Q2; Acorafloxacin; Avarofloxacin
IUPAC/Chemical Name
7-[(3E)-3-(2-Amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, trifluoroacetic acid
InChi Key
LNXFDUASDPWWSN-YFMOEUEHSA-N
InChi Code
InChI=1S/C21H23F2N3O4.C2HF3O2/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24;3-2(4,5)1(6)7/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29);(H,6,7)/b16-11+;
SMILES Code
O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4C/C(CCC4)=C(F)\CN)=C3OC)C1=O)O.O=C(O)C(F)(F)F
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
>3 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 533.45 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: Kocsis B, Domokos J, Szabo D. Chemical structure and pharmacokinetics of novel quinolone agents represented by avarofloxacin, delafloxacin, finafloxacin, zabofloxacin and nemonoxacin. Ann Clin Microbiol Antimicrob. 2016 May 23;15(1):34. doi: 10.1186/s12941-016-0150-4. Review. PubMed PMID: 27215369; PubMed Central PMCID: PMC4878067.