I-XW-053 sodium | CAS#1644644-89-2 | HIV replication inhibitor

MedKoo Cat#: 561237 | Name: I-XW-053 sodium

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Description:

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

I-XW-053 sodium inhibits the replication of a diverse panel of primary HIV-1 isolates in PBMCs, while displaying no appreciable cytotoxicity. This antiviral activity is specific to HIV-1, as I-XW-053 displays no effect on the replication of SIV or against a panel of nonretroviruses.

Chemical Structure

I-XW-053 sodium

CAS#1644644-89-2

Theoretical Analysis

MedKoo Cat#: 561237

Name: I-XW-053 sodium

CAS#: 1644644-89-2

Chemical Formula: C22H15N2NaO2

Exact Mass:

Molecular Weight: 362.36

Elemental Analysis: C, 72.92; H, 4.17; N, 7.73; Na, 6.34; O, 8.83

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 300.00	2 Weeks
10mg	USD 550.00	2 Weeks

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Related CAS #

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Synonym

I-XW-053 sodium; IXW053 sodium; I XW 053 sodium; I-XW-053 Na; IXW053 Na; I XW 053 Na; SDB

IUPAC/Chemical Name

Sodium 4-(4,5-Diphenyl-1H-imidazol-2-yl)-benzoate

InChi Key

KQJHIPPBSYSTNQ-UHFFFAOYSA-M

InChi Code

InChI=1S/C22H16N2O2.Na/c25-22(26)18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16;/h1-14H,(H,23,24)(H,25,26);/q;+1/p-1

SMILES Code

O=C([O-])C1=CC=C(C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N2)C=C1.[Na+]

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

I-XW-053 sodium inhibits the replication of a diverse panel of primary HIV-1 isolates in PBMCs.

In vitro activity:

This study has recently designed a novel small molecule inhibitor I-XW-053 using the hybrid structure based method to block the interface between CA N-terminal domains (NTD-NTD interface) with micromolar affinity. In an effort to optimize and improve the efficacy of I-XW-053, this study has developed the structure activity relationship of I-XW-053 compound series using ligand efficiency methods. Compound 34 belonging to subcore-3 showed an 11-fold improvement over I-XW-053 in blocking HIV-1 replication in primary human peripheral blood mononuclear cells (PBMCs). Reference: J Chem Inf Model. 2014 Nov 24;54(11):3080-90. https://pubmed.ncbi.nlm.nih.gov/25302989/

In vivo activity:

TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 362.36 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.

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

Formulation protocol:

1. Kortagere S, Xu JP, Mankowski MK, Ptak RG, Cocklin S. Structure-activity relationships of a novel capsid targeted inhibitor of HIV-1 replication. J Chem Inf Model. 2014 Nov 24;54(11):3080-90. doi: 10.1021/ci500437r. Epub 2014 Oct 28. PMID: 25302989; PMCID: PMC4245176. 2. Kortagere S, Madani N, Mankowski MK, Schön A, Zentner I, Swaminathan G, Princiotto A, Anthony K, Oza A, Sierra LJ, Passic SR, Wang X, Jones DM, Stavale E, Krebs FC, Martín-García J, Freire E, Ptak RG, Sodroski J, Cocklin S, Smith AB 3rd. Inhibiting early-stage events in HIV-1 replication by small-molecule targeting of the HIV-1 capsid. J Virol. 2012 Aug;86(16):8472-81. doi: 10.1128/JVI.05006-11. Epub 2012 May 30. PMID: 22647699; PMCID: PMC3421734.

In vitro protocol:

In vivo protocol:

TBD

1: Kortagere S, Madani N, Mankowski MK, Schön A, Zentner I, Swaminathan G, Princiotto A, Anthony K, Oza A, Sierra LJ, Passic SR, Wang X, Jones DM, Stavale E, Krebs FC, Martín-García J, Freire E, Ptak RG, Sodroski J, Cocklin S, Smith AB 3rd. Inhibiting early-stage events in HIV-1 replication by small-molecule targeting of the HIV-1 capsid. J Virol. 2012 Aug;86(16):8472-81. doi: 10.1128/JVI.05006-11. Epub 2012 May 30. PubMed PMID: 22647699; PubMed Central PMCID: PMC3421734.