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.
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
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 Key: VMKVDAAFMQKZJS-LFIBNONCSA-N
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 |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 100.0 | 238.42 |
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.
| 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 |
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.
