MedKoo Cat#: 319666 | Name: Acorafloxacin free base
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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 free base
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: 419.43

Elemental Analysis: C, 60.14; H, 5.53; F, 9.06; N, 10.02; O, 15.26

Price and Availability

Size Price Availability Quantity
1mg USD 85.00 Ready to ship
5mg USD 350.00 Ready to ship
10mg USD 550.00 Ready to ship
25mg USD 1,150.00 Ready to ship
50mg USD 1,950.00 Ready to ship
100mg USD 2,950.00 Ready to ship
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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
More Info
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 mg/mL mM
Solubility
DMSO 100.0 238.42
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 419.43 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
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.