MedKoo Cat#: 128015 | Name: ZINC20451377
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Description:

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

ZINC20451377 is a small molecule that binds to hepatitis B surface antigen (HBsAg) with high affinity (Kd=65.3 nM), reduces HBsAg levels and HBV virion secretion in cell culture model for HBV.

Chemical Structure

ZINC20451377
ZINC20451377
CAS#2306303-35-3

Theoretical Analysis

MedKoo Cat#: 128015

Name: ZINC20451377

CAS#: 2306303-35-3

Chemical Formula: C32H38N4O3

Exact Mass: 526.2944

Molecular Weight: 526.68

Elemental Analysis: C, 72.98; H, 7.27; N, 10.64; O, 9.11

Price and Availability

Size Price Availability Quantity
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
200mg USD 1,650.00 2 Weeks
1g USD 4,850.00 2 Weeks
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Related CAS #
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Synonym
ZINC20451377; ZINC 20451377; ZINC-20451377
IUPAC/Chemical Name
(E)-3-(4-methoxyphenyl)-1-(4-(3-((4-(pyridin-3-ylmethyl)piperazin-1-yl)methyl)phenoxy)piperidin-1-yl)prop-2-en-1-one
InChi Key
ACJMCFJDYXAPSD-FMIVXFBMSA-N
InChi Code
InChI=1S/C32H38N4O3/c1-38-29-10-7-26(8-11-29)9-12-32(37)36-16-13-30(14-17-36)39-31-6-2-4-27(22-31)24-34-18-20-35(21-19-34)25-28-5-3-15-33-23-28/h2-12,15,22-23,30H,13-14,16-21,24-25H2,1H3/b12-9+
SMILES Code
O=C(N1CCC(OC2=CC=CC(CN3CCN(CC4=CC=CN=C4)CC3)=C2)CC1)/C=C/C5=CC=C(OC)C=C5
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 526.68 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: Kiruthika S, Bhat R, Jayaram B, Vivekanandan P. A small molecule targeting hepatitis B surface antigen inhibits clinically relevant drug-resistant hepatitis B virus. J Antimicrob Chemother. 2022 Jul 28;77(8):2120-2124. doi: 10.1093/jac/dkac148. PMID: 35514268. 2: Kiruthika S, Bhat R, Dash R, Rathore AS, Vivekanandan P, Jayaram B. A novel piperazine derivative that targets hepatitis B surface antigen effectively inhibits tenofovir resistant hepatitis B virus. Sci Rep. 2021 Jun 3;11(1):11723. doi: 10.1038/s41598-021-91196-1. PMID: 34083665; PMCID: PMC8175705.