AB-423
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 565515

CAS#: 1572510-80-5

Description: AB-423 is a novel inhibitor of hepatitis b virus pregenomic rna encapsidation


Chemical Structure

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AB-423
CAS# 1572510-80-5

Theoretical Analysis

MedKoo Cat#: 565515
Name: AB-423
CAS#: 1572510-80-5
Chemical Formula: C17H17F3N2O3S
Exact Mass: 386.0912
Molecular Weight: 386.3892
Elemental Analysis: C, 52.84; H, 4.43; F, 14.75; N, 7.25; O, 12.42; S, 8.30

Price and Availability

Size Price Availability Quantity
50.0mg USD 750.0 2 Weeks
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1850.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3850.0 2 Weeks
2.0g USD 6850.0 2 Weeks
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Synonym: AB-423; AB 423; AB423

IUPAC/Chemical Name: (R)-5-(N-(sec-Butyl)sulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide

InChi Key: BBLXLHYPDOMJMO-SNVBAGLBSA-N

InChi Code: InChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)/t10-/m1/s1

SMILES Code: O=C(NC1=CC=C(F)C(F)=C1)C2=CC(S(=O)(N[C@H](C)CC)=O)=CC=C2F

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

Product Data:

Biological target: AB-423 is an inhibitor of HBV capsid assembly, and inhibits HBV replication with EC50/EC90 of 0.08-0.27 μM/0.33-1.32 μM in cells.
In vitro activity: The antiviral activity of AB-423 was evaluated in several different cell culture models of HBV infection. AB-423 showed inhibition of rcDNA production in a concentration-dependent manner. AB-423 showed comparable inhibition of rcDNA production in the HepDE19 cell assay during incubation with AB-423 for 2, 3, 6, or 7 days (data not shown). Consistent with these data, AB-423 also demonstrated inhibition of cccDNA formation-dependent HBeAg production in the HepBHAe82 cell assay with an EC50 of 0.267 μM and inhibited HBV DNA levels in culture supernatants of HepG 2.2.15 cells with an EC50 of 0.134 μM. Reference: Antimicrob Agents Chemother. 2018 Jun; 62(6): e00082-18. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5971612/
In vivo activity: A 7-day treatment regimen with AB-423 in this model resulted in a dose-responsive reduction of the serum HBV DNA level of up to 1.4 log10 compared to that in the vehicle-treated control mice (Fig. 7). After 7 days of twice daily oral administration, the preferential accumulation of AB-423 occurred in the liver, the target organ for therapy, with a liver concentration-to-plasma concentration ratio of 11. Examination of other HBV markers in blood and liver showed AB-423 effects consistent with its known mechanism of action. At 100 mg/kg, an HBV DNA reduction of 1.4 log10 in serum correlated with a 0.92-log10 reduction in the liver, the site of drug action where AB-423 inhibits functional capsid particle formation and the production of intact viral particles containing rcDNA. In total, these data demonstrate that oral administration of AB-423 results in anti-HBV activity in vivo and in a manner consistent with its mechanism of action. Reference: Antimicrob Agents Chemother. 2018 Jun; 62(6): e00082-18. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5971612/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 88.5 229.04
Ethanol 77.0 199.28

Preparing Stock Solutions

The following data is based on the product molecular weight 386.3892 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: 1. Mani N, Cole AG, Phelps JR, Ardzinski A, Cobarrubias KD, Cuconati A, Dorsey BD, Evangelista E, Fan K, Guo F, Guo H, Guo JT, Harasym TO, Kadhim S, Kultgen SG, Lee ACH, Li AHL, Long Q, Majeski SA, Mao R, McClintock KD, Reid SP, Rijnbrand R, Snead NM, Micolochick Steuer HM, Stever K, Tang S, Wang X, Zhao Q, Sofia MJ. Preclinical Profile of AB-423, an Inhibitor of Hepatitis B Virus Pregenomic RNA Encapsidation. Antimicrob Agents Chemother. 2018 May 25;62(6):e00082-18. doi: 10.1128/AAC.00082-18. PMID: 29555628; PMCID: PMC5971612.
In vitro protocol: 1. Mani N, Cole AG, Phelps JR, Ardzinski A, Cobarrubias KD, Cuconati A, Dorsey BD, Evangelista E, Fan K, Guo F, Guo H, Guo JT, Harasym TO, Kadhim S, Kultgen SG, Lee ACH, Li AHL, Long Q, Majeski SA, Mao R, McClintock KD, Reid SP, Rijnbrand R, Snead NM, Micolochick Steuer HM, Stever K, Tang S, Wang X, Zhao Q, Sofia MJ. Preclinical Profile of AB-423, an Inhibitor of Hepatitis B Virus Pregenomic RNA Encapsidation. Antimicrob Agents Chemother. 2018 May 25;62(6):e00082-18. doi: 10.1128/AAC.00082-18. PMID: 29555628; PMCID: PMC5971612.
In vivo protocol: 1. Mani N, Cole AG, Phelps JR, Ardzinski A, Cobarrubias KD, Cuconati A, Dorsey BD, Evangelista E, Fan K, Guo F, Guo H, Guo JT, Harasym TO, Kadhim S, Kultgen SG, Lee ACH, Li AHL, Long Q, Majeski SA, Mao R, McClintock KD, Reid SP, Rijnbrand R, Snead NM, Micolochick Steuer HM, Stever K, Tang S, Wang X, Zhao Q, Sofia MJ. Preclinical Profile of AB-423, an Inhibitor of Hepatitis B Virus Pregenomic RNA Encapsidation. Antimicrob Agents Chemother. 2018 May 25;62(6):e00082-18. doi: 10.1128/AAC.00082-18. PMID: 29555628; PMCID: PMC5971612.

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1: Mani N, Cole AG, Phelps JR, Ardzinski A, Cobarrubias KD, Cuconati A, Dorsey BD, Evangelista E, Fan K, Guo F, Guo H, Guo JT, Harasym TO, Kadhim S, Kultgen SG, Lee ACH, Li AHL, Long Q, Majeski SA, Mao R, McClintock KD, Reid SP, Rijnbrand R, Snead NM, Micolochick Steuer HM, Stever K, Tang S, Wang X, Zhao Q, Sofia MJ. Preclinical Profile of AB-423, an Inhibitor of Hepatitis B Virus Pregenomic RNA Encapsidation. Antimicrob Agents Chemother. 2018 May 25;62(6). pii: e00082-18. doi: 10.1128/AAC.00082-18. Print 2018 Jun. PubMed PMID: 29555628; PubMed Central PMCID: PMC5971612.

AB-423

50.0mg / USD 750.0