MedKoo Cat#: 565017 | Name: ITX5061

Description:

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

ITX5061 is a highly potent inhibitor of scavenger receptor-B1, and a potent HCV entry inhibitor.

Chemical Structure

ITX5061
ITX5061
CAS#848144-15-0 (free base)

Theoretical Analysis

MedKoo Cat#: 565017

Name: ITX5061

CAS#: 848144-15-0 (free base)

Chemical Formula: C30H37N3O7S

Exact Mass: 583.2352

Molecular Weight: 583.70

Elemental Analysis: C, 61.73; H, 6.39; N, 7.20; O, 19.19; S, 5.49

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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Synonym
ITX-5061; ITX 5061; ITX5061
IUPAC/Chemical Name
N-(5-(tert-butyl)-2-methoxy-3-(methylsulfonamido)phenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
InChi Key
UUROSJLZNDSXRF-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
SMILES Code
COC1=C(NS(C)(=O)=O)C=C(C=C1NC(=O)C(=O)C2=C3C=CC=CC3=C(OCCN4CCOCC4)C=C2)C(C)(C)C
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
>3 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 583.70 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: Patel R, Fleming J, Mui E, Loveridge C, Repiscak P, Blomme A, Harle V, Salji M, Ahmad I, Teo K, Hamdy FC, Hedley A, van den Broek N, Mackay G, Edwards J, Sansom OJ, Leung HY. Sprouty2 loss-induced IL6 drives castration-resistant prostate cancer through scavenger receptor B1. EMBO Mol Med. 2018 Apr;10(4). pii: e8347. doi: 10.15252/emmm.201708347. PubMed PMID: 29540470; PubMed Central PMCID: PMC5887544. 2: Xue J, Liu Y, Yang Y, Wu S, Hu Y, Yang F, Zhou X, Wang J, Chen F, Zheng M, Zhu H, Chen Z. MEAN inhibits hepatitis C virus replication by interfering with a polypyrimidine tract-binding protein. J Cell Mol Med. 2016 Jul;20(7):1255-65. doi: 10.1111/jcmm.12798. Epub 2016 Mar 1. PubMed PMID: 26929148; PubMed Central PMCID: PMC4929307. 3: Rowe IA, Tully DC, Armstrong MJ, Parker R, Guo K, Barton D, Morse GD, Venuto CS, Ogilvie CB, Hedegaard DL, McKelvy JF, Wong-Staal F, Allen TM, Balfe P, McKeating JA, Mutimer DJ. Effect of scavenger receptor class B type I antagonist ITX5061 in patients with hepatitis C virus infection undergoing liver transplantation. Liver Transpl. 2016 Mar;22(3):287-97. doi: 10.1002/lt.24349. PubMed PMID: 26437376; PubMed Central PMCID: PMC4901184. 4: Sulkowski MS, Kang M, Matining R, Wyles D, Johnson VA, Morse GD, Amorosa V, Bhattacharya D, Coughlin K, Wong-Staal F, Glesby MJ; AIDS Clinical Trials Group A5277 Protocol Team. Safety and antiviral activity of the HCV entry inhibitor ITX5061 in treatment-naive HCV-infected adults: a randomized, double-blind, phase 1b study. J Infect Dis. 2014 Mar 1;209(5):658-67. doi: 10.1093/infdis/jit503. Epub 2013 Sep 16. PubMed PMID: 24041792; PubMed Central PMCID: PMC3923538. 5: Hochreiter J, Lapham J, Wong-Staal F, McKelvy J, Sulkowski M, Glesby MJ, Johnson VA, Morse GD. ITX 5061 quantitation in human plasma with reverse phase liquid chromatography and mass spectrometry detection. Antivir Ther. 2013;18(3):329-36. doi: 10.3851/IMP2354. Epub 2012 Sep 6. PubMed PMID: 22954720. 6: Zhu H, Wong-Staal F, Lee H, Syder A, McKelvy J, Schooley RT, Wyles DL. Evaluation of ITX 5061, a scavenger receptor B1 antagonist: resistance selection and activity in combination with other hepatitis C virus antivirals. J Infect Dis. 2012 Feb 15;205(4):656-62. doi: 10.1093/infdis/jir802. PubMed PMID: 22279172; PubMed Central PMCID: PMC3266130.