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MedKoo Cat#: 124994 | Name: AB-506

Description:

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

AB-506 is a HBV capsid assembly modulator

Chemical Structure

AB-506
AB-506
CAS#2245020-50-0

Theoretical Analysis

MedKoo Cat#: 124994

Name: AB-506

CAS#: 2245020-50-0

Chemical Formula: C21H18ClF2N5O3

Exact Mass: 461.1100

Molecular Weight: 461.85

Elemental Analysis: C, 54.61; H, 3.93; Cl, 7.68; F, 8.23; N, 15.16; O, 10.39

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-506; AB 506; AB506; CHEMBL5184427; SCHEMBL21777388; HY-148768; CS-0639035; 2245020-50-0
IUPAC/Chemical Name
(1-methyl-1,2,4-triazol-3-yl)methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
InChi Key
DMJDVZSGLNPLSS-KRWDZBQOSA-N
InChi Code
InChI=1S/C21H18ClF2N5O3/c1-29-10-25-18(28-29)9-32-21(31)27-17-7-4-12-13(3-6-16(24)19(12)17)20(30)26-11-2-5-15(23)14(22)8-11/h2-3,5-6,8,10,17H,4,7,9H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1
SMILES Code
O=C(OCC1=NN(C)C=N1)N[C@H]2CCC3=C2C(F)=CC=C3C(NC4=CC=C(F)C(Cl)=C4)=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 461.85 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
1: Mani N, Cole AG, Phelps JR, Ardzinski A, Burns R, Chiu T, Cuconati A, Dorsey BD, Evangelista E, Fan K, Guo F, Harasym TO, Kadhim S, Kowalski R, Kultgen SG, Lee ACH, Li AH, Majeski SA, Miller A, Pasetka C, Reid SP, Rijnbrand R, Micolochick Steuer HM, Stever K, Tang S, Teng X, Wang X, Sofia MJ. Preclinical characterization of AB-506, an inhibitor of HBV replication targeting the viral core protein. Antiviral Res. 2022 Jan;197:105211. doi: 10.1016/j.antiviral.2021.105211. Epub 2021 Nov 23. PMID: 34826506. 2: Yuen MF, Berliba E, Sukeepaisarnjaroen W, Ahn SH, Tanwandee T, Lim YS, Kim YJ, Poovorawan K, Tangkijvanich P, Schwabe C, Eley T, Brown J, Lee ACH, Thi EP, Paratala B, Mani N, Sofia MJ, Picchio G, Sims KD, Gane EJ. Safety, pharmacokinetics, and antiviral activity of the capsid inhibitor AB-506 from Phase 1 studies in healthy subjects and those with hepatitis B. Hepatol Commun. 2022 Dec;6(12):3457-3472. doi: 10.1002/hep4.2095. Epub 2022 Oct 4. PMID: 36194181; PMCID: PMC9701477. 3: Cole AG, Kultgen SG, Mani N, Quintero JG, Yi Fan K, Ardzinski A, Stever K, Dorsey BD, Phelps JR, Lee ACH, Thi EP, Chiu T, Tang S, Horanyi PS, Mayclin SJ, Harasym TO, Sofia MJ. Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorg Med Chem Lett. 2023 Oct 1;94:129456. doi: 10.1016/j.bmcl.2023.129456. Epub 2023 Aug 25. PMID: 37633618. 4: Cole AG, Kultgen SG, Mani N, Ardzinski A, Fan KY, Thi EP, Dorsey BD, Stever K, Chiu T, Tang S, Daly O, Phelps JR, Harasym T, Olland A, Suto RK, Sofia MJ. The identification of highly efficacious functionalised tetrahydrocyclopenta[c]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly. RSC Med Chem. 2022 Jan 19;13(3):343-349. doi: 10.1039/d1md00318f. PMID: 35434625; PMCID: PMC8942244.