WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H124994
CAS#: 2245020-50-0
Description: AB-506 is a HBV capsid assembly modulator
Hodoodo Cat#: H124994
Name: AB-506
CAS#: 2245020-50-0
Chemical Formula: C21H18ClF2N5O3
Exact Mass: 461.11
Molecular Weight: 461.850
Elemental Analysis: C, 54.61; H, 3.93; Cl, 7.68; F, 8.23; N, 15.16; O, 10.39
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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.
| 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: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
