MedKoo Cat#: 128115 | Name: AB-161

Description:

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

AB-161 is PAPD5/7 inhibitor (HBsAg EC50 = 2.2 nM). AB-161 showed similarly potent to AB-452 in vitro and in vivo but showed dramatically higher rodent liver-to-plasma ratios. There were no neurobehavioral effects with AB-161 in dogs up to 45 mg/kg after 60 days, unlike with AB-452, where these were observed at lower doses by day 14.

Chemical Structure

AB-161
AB-161
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128115

Name: AB-161

CAS#: N/A

Chemical Formula: C21H21F2N3O5

Exact Mass: 433.1449

Molecular Weight: 433.41

Elemental Analysis: C, 58.20; H, 4.88; F, 8.77; N, 9.70; O, 18.46

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 #
No Data
Synonym
AB-161; AB161; AB 161
IUPAC/Chemical Name
(S)-5-(tert-butyl)-11-(difluoromethoxy)-9-methoxy-2-oxo-1,2,5,6-tetrahydropyrido[2',1':2,3]imidazo[4,5-h]quinoline-3-carboxylic acid
InChi Key
MSLFMAVVJSAXSP-GFCCVEGCSA-N
InChi Code
InChI=1S/C21H21F2N3O5/c1-21(2,3)12-7-13-16(15-10(12)6-11(19(28)29)18(27)25-15)24-17-14(31-20(22)23)5-9(30-4)8-26(13)17/h5-6,8,12,20H,7H2,1-4H3,(H,25,27)(H,28,29)/t12-/m1/s1
SMILES Code
FC(F)OC1=CC(OC)=CN2C1=NC3=C2C[C@@H](C(C)(C)C)C(C=C4C(O)=O)=C3NC4=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 433.41 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
Lam AM, Dugyala RR, Sheraz M, Liu F, Thi EP, Graves IE, Cuconati A, Steuer HM, Ardzinski A, Overholt N, Mason JD, Gotchev D, Cole AG, Harasym TO, Sofia MJ. Preclinical Antiviral and Safety Profiling of the HBV RNA Destabilizer AB-161. Viruses. 2024 Feb 21;16(3):323. doi: 10.3390/v16030323. PMID: 38543689; PMCID: PMC10975527.