MedKoo Cat#: 527028 | Name: ITX-4520

Description:

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

ITX-4520 novel highly potent, orally bioavailable hepatitis C virus (HCV) entry inhibitor.

Chemical Structure

ITX-4520
ITX-4520
CAS#1392116-37-8

Theoretical Analysis

MedKoo Cat#: 527028

Name: ITX-4520

CAS#: 1392116-37-8

Chemical Formula: C24H23F2N3OS

Exact Mass: 439.1530

Molecular Weight: 439.52

Elemental Analysis: C, 65.59; H, 5.27; F, 8.64; N, 9.56; O, 3.64; S, 7.29

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
ITX4520; ITX 4520; ITX-4520
IUPAC/Chemical Name
9-[3-(3,5-Difluoro-phenylsulfanyl)-propyl]-6-(3-methyl-[1,2,4]oxadiazol-5-yl)-2,3,4,9-tetrahydro-1H-carbazole
InChi Key
GZGZYDZBSNEDTO-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H23F2N3OS/c1-15-27-24(30-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-31-19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3
SMILES Code
CC1=NOC(C2=CC3=C(N(CCCSC4=CC(F)=CC(F)=C4)C5=C3CCCC5)C=C2)=N1
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 439.52 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: Mittapalli GK, Zhao F, Jackson A, Gao H, Lee H, Chow S, Kaur MP, Nguyen N, Zamboni R, McKelvy J, Wong-Staal F, Macdonald JE. Discovery of ITX 4520: a highly potent orally bioavailable hepatitis C virus entry inhibitor. Bioorg Med Chem Lett. 2012 Aug 1;22(15):4955-61. doi: 10.1016/j.bmcl.2012.06.038. Epub 2012 Jun 19. PubMed PMID: 22784640.