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MedKoo Cat#: 524285 | Name: AT 61

Description:

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

AT-61 is a nonnucleoside analogue inhibitors of hepatitis B virus (HBV) replication. It inhibits the replication of wild-type HBV with 50% inhibitory concentrations of 21.2 +/- 9.5 and 2.40 +/- 0.92 micro M, respectively.

Chemical Structure

AT 61
AT 61
CAS#300669-68-5

Theoretical Analysis

MedKoo Cat#: 524285

Name: AT 61

CAS#: 300669-68-5

Chemical Formula: C21H21ClN2O2

Exact Mass: 368.1292

Molecular Weight: 368.86

Elemental Analysis: C, 68.38; H, 5.74; Cl, 9.61; N, 7.59; O, 8.68

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
AT 61; AT-61; AT61;
IUPAC/Chemical Name
Benzamide, N-(2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-
InChi Key
FGCZYICKZZNEEU-VHEBQXMUSA-N
InChi Code
InChI=1S/C21H21ClN2O2/c22-18(16-10-4-1-5-11-16)19(21(26)24-14-8-3-9-15-24)23-20(25)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,23,25)/b19-18+
SMILES Code
c1ccc(cc1)/C(=C(/C(=O)N2CCCCC2)\NC(=O)c3ccccc3)/Cl
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

Preparing Stock Solutions

The following data is based on the product molecular weight 368.86 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: Delaney WE 4th, Edwards R, Colledge D, Shaw T, Furman P, Painter G, Locarnini S. Phenylpropenamide derivatives AT-61 and AT-130 inhibit replication of wild-type and lamivudine-resistant strains of hepatitis B virus in vitro. Antimicrob Agents Chemother. 2002 Sep;46(9):3057-60. PubMed PMID: 12183271; PubMed Central PMCID: PMC127422. 2: King RW, Ladner SK, Miller TJ, Zaifert K, Perni RB, Conway SC, Otto MJ. Inhibition of human hepatitis B virus replication by AT-61, a phenylpropenamide derivative, alone and in combination with (-)beta-L-2',3'-dideoxy-3'-thiacytidine. Antimicrob Agents Chemother. 1998 Dec;42(12):3179-86. Erratum in: Antimicrob Agents Chemother 1999 Mar;43(3):726. PubMed PMID: 9835512; PubMed Central PMCID: PMC106020.