ZINC20451377
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.
For research use only. We do not sell to patients.
Chemical Information
| Name | ZINC20451377 |
|---|---|
| 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 |
| Synonyms | ZINC20451377; ZINC 20451377; ZINC-20451377 |
| Molecular Formula | C32H38N4O3 |
| Molecular Weight | 526.67 |
| Smile | O=C(N1CCC(OC2=CC=CC(CN3CCN(CC4=CC=CN=C4)CC3)=C2)CC1)/C=C/C5=CC=C(OC)C=C5 |
| InChiKey | ACJMCFJDYXAPSD-FMIVXFBMSA-N |
| InChi | 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+ |
| CAS Number | 2306303-35-3 |
| Related CAS |
Ordering Information
| Packaging | Price | Availability | Purity | Shipping Time |
|---|---|---|---|---|
| Bulk | Enquiry | Enquiry | Enquiry |
| Formulation | Off-white solid |
|---|---|
| Purity | 98% Min. |
| Storage | Dry, dark and at 0 - 4℃ for short term (days to weeks) or -20℃ for long term (months to years). |
| Solubility | Soluble in DMSO |
| Handling | |
| 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. |
| HS Code |
| Targets | |
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| Mechanism | |
| Cell study | |
| Animal study | |
| Clinical study |
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.
Chemical Structure
