MSX-122
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MedKoo CAT#: 201961

CAS#: 897657-95-3

Description: MSX-122 is a n orally bioavailable inhibitor of CXCR4 with potential antineoplastic and antiviral activities. CXCR4 inhibitor MSX-122 binds to the chemokine receptor CXCR4, preventing the binding of stromal derived factor-1 (SDF-1) to the CXCR4 receptor and receptor activation, which may result in decreased tumor cell proliferation and migration. CXCR4, a chemokine receptor belonging to the GPCR (G protein-coupled receptor) gene family, plays an important role in chemotaxis and angiogenesis and is upregulated in several tumor cell types; it is also a co-receptor for HIV entry into T cells. The chemical structure of MSX-122 is very similar to that of WZ811.


Chemical Structure

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MSX-122
CAS# 897657-95-3

Theoretical Analysis

MedKoo Cat#: 201961
Name: MSX-122
CAS#: 897657-95-3
Chemical Formula: C16H16N6
Exact Mass: 292.14364
Molecular Weight: 292.34
Elemental Analysis: C, 65.74; H, 5.52; N, 28.75

Price and Availability

Size Price Availability Quantity
5.0mg USD 90.0 Same Day
10.0mg USD 150.0 Same Day
25.0mg USD 250.0 Same Day
50.0mg USD 450.0 Same Day
100.0mg USD 650.0 Same Day
200.0mg USD 950.0 Same Day
500.0mg USD 1650.0 2 Weeks
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Synonym: MSX122; MSX 122; MSX-122.

IUPAC/Chemical Name: N,N'-(1,4-phenylenebis(methylene))bis(pyrimidin-2-amine)

InChi Key: PXZXYRKDDXKDTK-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)

SMILES Code: C1(CNC2=NC=CC=N2)=CC=C(CNC3=NC=CC=N3)C=C1

Appearance: white 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, not in water

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.2 0.7

Preparing Stock Solutions

The following data is based on the product molecular weight 292.34 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

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1: Shu HK, Yoon Y, Hong S, Xu K, Gao H, Hao C, Torres-Gonzalez E, Nayra C, Rojas M, Shim H. Inhibition of the CXCL12/CXCR4-Axis as Preventive Therapy for Radiation-Induced Pulmonary Fibrosis. PLoS One. 2013 Nov 7;8(11):e79768. doi: 10.1371/journal.pone.0079768. PubMed PMID: 24244561; PubMed Central PMCID: PMC3820649.

2: Ziarek JJ, Liu Y, Smith E, Zhang G, Peterson FC, Chen J, Yu Y, Chen Y, Volkman BF, Li R. Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction. Curr Top Med Chem. 2012;12(24):2727-40. PubMed PMID: 23368099; PubMed Central PMCID: PMC3839847.

3: Liang Z, Zhan W, Zhu A, Yoon Y, Lin S, Sasaki M, Klapproth JM, Yang H, Grossniklaus HE, Xu J, Rojas M, Voll RJ, Goodman MM, Arrendale RF, Liu J, Yun CC, Snyder JP, Liotta DC, Shim H. Development of a unique small molecule modulator of CXCR4. PLoS One. 2012;7(4):e34038. doi: 10.1371/journal.pone.0034038. Epub 2012 Apr 2. PubMed PMID: 22485156; PubMed Central PMCID: PMC3317778.

4: de Nigris F, Schiano C, Infante T, Napoli C. CXCR4 inhibitors: tumor vasculature and therapeutic challenges. Recent Pat Anticancer Drug Discov. 2012 Sep;7(3):251-64. Review. PubMed PMID: 22376154.



Additional Information

MSX-122 is a potent inhibitor of the chemokine receptor CXCR4, which is activated by stromal derived factor-1 (SDF-1). The interaction between SDF-1 and CXCR4 has been shown to promote chemotaxis and angiogenesis in multiple cancer cell types. In preclinical studies, MSX-122 has displayed a favorable pharmacodynamic and safety profile while inhibiting the function of CXCR4, thus affecting downstream cellular events. [source: http://www.gabio.org/pr_details.aspx?subid=121] .