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MedKoo Cat#: 527417 | Name: Isothiafludine

Description:

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

Isothiafludine, also NZ-4 and W-28-F, is a HBV virus inhibitor that dramatically reduces the HBV DNA level in cells. During the hepatitis B virus (HBV) life cycle, nucleocapsid assembly is essential for HBV replication. Both RNA reverse transcription and DNA replication occur within the HBV nucleocapsid. HBV nucleocapsid is consisted of core protein (HBcAg), whose carboxy-terminal domain (CTD) contains an Arg-rich domain (ARD). The ARD of HBcAg does contribute to the encapsidation of pregenomic RNA (pgRNA).

Chemical Structure

Isothiafludine
Isothiafludine
CAS#960527-22-4

Theoretical Analysis

MedKoo Cat#: 527417

Name: Isothiafludine

CAS#: 960527-22-4

Chemical Formula: C18H18FN3OS2

Exact Mass: 375.0875

Molecular Weight: 375.48

Elemental Analysis: C, 57.58; H, 4.83; F, 5.06; N, 11.19; O, 4.26; S, 17.08

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 #
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Synonym
Isothiafludine; NZ‐4; W-28-F; NZ 4; W 28 F; NZ4; W28F
IUPAC/Chemical Name
N-(4-fluorobenzyl)-5-isobutyl-[2,2'-bithiazole]-4-carboxamide
InChi Key
DPHPCLGZSLZAGL-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H18FN3OS2/c1-11(2)9-14-15(22-18(25-14)17-20-7-8-24-17)16(23)21-10-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,23)
SMILES Code
O=C(C1=C(CC(C)C)SC(C2=NC=CS2)=N1)NCC3=CC=C(F)C=C3
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
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 375.48 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: Yang L, Shi LP, Chen HJ, Tong XK, Wang GF, Zhang YM, Wang WL, Feng CL, He PL, Zhu FH, Hao YH, Wang BJ, Yang DL, Tang W, Nan FJ, Zuo JP. Isothiafludine, a novel non-nucleoside compound, inhibits hepatitis B virus replication through blocking pregenomic RNA encapsidation. Acta Pharmacol Sin. 2014 Mar;35(3):410-8. doi: 10.1038/aps.2013.175. PubMed PMID: 24487969; PubMed Central PMCID: PMC4647886. 2: Yang L, Wang YJ, Chen HJ, Shi LP, Tong XK, Zhang YM, Wang GF, Wang WL, Feng CL, He PL, Xu YB, Lu MJ, Tang W, Nan FJ, Zuo JP. Effect of a hepatitis B virus inhibitor, NZ-4, on capsid formation. Antiviral Res. 2016 Jan;125:25-33. doi: 10.1016/j.antiviral.2015.11.004. PubMed PMID: 26611395.