Acorafloxacin free base

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

MedKoo CAT#: 319666

CAS#: 878592-87-1 (free base)

Description: 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 free base
CAS# 878592-87-1 (free base)

Theoretical Analysis

MedKoo Cat#: 319666
Name: Acorafloxacin free base
CAS#: 878592-87-1 (free base)
Chemical Formula: C21H23F2N3O4
Exact Mass: 419.1657
Molecular Weight: 419.4288
Elemental Analysis: C, 60.14; H, 5.53; F, 9.06; N, 10.02; O, 15.26

Price and Availability

Size Price Availability Quantity
1.0mg USD 85.0 Ready to ship
5.0mg USD 350.0 Ready to ship
10.0mg USD 550.0 Ready to ship
25.0mg USD 1150.0 Ready to ship
50.0mg USD 1950.0 Ready to ship
100.0mg USD 2950.0 Ready to ship
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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: (E)-7-(3-(2-amino-1-fluoroethylidene)piperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid


InChi Code: InChI=1S/C21H23F2N3O4/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/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/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

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, not in water

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

Biological target: Avarofloxacin (JNJ-Q2) is an aminoethylidenylpiperidine fluoroquinolone that demonstrates antibacterial effect against numerous Gram-positive bacteria with a mean 0.12 mg/L MIC90 value.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 100.0 238.42

Preparing Stock Solutions

The following data is based on the product molecular weight 419.4288 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
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Kong Q, Pan W, Xu H, Xue Y, Guo B, Meng X, Luo C, Wang T, Zhang S, Yang Y. Design, Synthesis, and Biological Evaluation of Novel Pyrimido[4,5-b]indole Derivatives Against Gram-Negative Multidrug- Resistant Pathogens. J Med Chem. 2021 Jun 24;64(12):8644-8665. doi: 10.1021/acs.jmedchem.1c00621. Epub 2021 Jun 3. PMID: 34080858.

2: Chao CM, Weng TS, Chen YH, Lai CC, Lin WT. Anti-MRSA quinolones for acute bacterial skin and skin structure infection: a systematic review and meta- analysis of randomized controlled trials. Expert Rev Anti Infect Ther. 2022 May;20(5):733-739. doi: 10.1080/14787210.2022.2004119. Epub 2021 Nov 22. PMID: 34753366.