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239822

CXCR4 Antagonist III

The CXCR4 Antagonist III controls the biological activity of CXCR4. This small molecule/inhibitor is primarily used for Biochemicals applications.

Synonym(s):

CXCR4 Antagonist III, N²-(4-((3-(Cyclohexylamino)propylamino)methyl)benzyl)-N⁴-(piperidin-4-yl) quinazoline-2,4-diamine, 2HCl, Fusin Antagonist III

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About This Item

Empirical Formula (Hill Notation):
C30H43N7 · 2HCl
CAS Number:
1357819-69-2
Molecular Weight:
574.63
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Quality level:
100
Storage condition:
OK to freeze, desiccated (hygroscopic), protect from light
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Quality Level

100

assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze, desiccated (hygroscopic), protect from light

color

white

solubility

DMSO: 25 mg/mL, water: 25 mg/mL

shipped in

ambient

storage temp.

2-8°C

SMILES string

C1(N=C(NCC2=CC=C(CNCCCNC3CCCCC3)C=C2)N=C4NC5CCNCC5)=C4C=CC=C1

InChI

1S/C30H43N7/c1-2-7-25(8-3-1)33-18-6-17-32-21-23-11-13-24(14-12-23)22-34-30-36-28-10-5-4-9-27(28)29(37-30)35-26-15-19-31-20-16-26/h4-5,9-14,25-26,31-33H,1-3,6-8,15-22H2,(H2,34,35,36,37)

InChI key

SHIKEDQVUTVKBS-UHFFFAOYSA-N

General description

A cell-permeable quinazoline compound that acts as a potent and reversible CXCR4 antagonist (IC50 = 36.2 nM for SDF-1/CXCL12 binding to hCXCR4-transfected HEK293 membrane) with selectivity over closely related human chemokine receptors CXCR2, CCR2, CCR4 and CCR5 (IC50 >10 µM). Shown to inhibit CXCL12-induced Ca2+-mobilization and cell migration in hCXCR4-HEK293 cells (IC50 = 100.1 and 41 nM, respectively), and rapidly mobilize CXCR4+, CD34+ and CD133+ stem cells from bone marrow in C57BL/6 male mice (6 mg/kg, s.c).

Biochem/physiol Actions

Cell permeable: yes
Reversible: yes

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Wu, C.H., et al. 2012. Chem. Med. Chem.7, In press.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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