Mavorixafor trihydrochloride (AMD-070 trihydrochloride) is a potent, selective, orally available CXCR4 antagonist that can antagonize the binding of 125I-SDF to CXCR4 with an IC50 value of 13 nM. Mavorixafor trihydrochloride (AMD-070 trihydrochloride) can prevent HIV-1 (NL4.3 strain) replication in MT-4 and PBMCs cells with IC50 values of 1 and 9 nM, respectively.

Physicochemical Properties

Molecular Formula	C21H30CL3N5
Molecular Weight	458.855401515961
Exact Mass	457.16
CAS #	2309699-17-8
Related CAS #	Mavorixafor; 558447-26-0
PubChem CID	78357868
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	29
Complexity	431
Defined Atom Stereocenter Count	1
SMILES	Cl.Cl.Cl.N(CC1=NC2C=CC=CC=2N1)(CCCCN)[C@@H]1C2C(=CC=CN=2)CCC1
InChi Key	FTHQTOSCZZCGHB-VLEZWVESSA-N
InChi Code	InChI=1S/C21H27N5.3ClH/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19;;;/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25);3*1H/t19-;;;/m0.../s1
Chemical Name	N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;trihydrochloride
Synonyms	Mavorixafor trihydrochloride; AMD-070 trihydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	125I-SDF-1-CXCR4 ( IC50 = 13 nM ); HIV-1 (NL4.3 strain) ( IC50 = 1 nM ); HIV-1 (NL4.3 strain) ( IC50 = 9 nM ); HIV-1 (NL4.3 strain) ( IC50 = 3 nM ); HIV-1 (NL4.3 strain) ( IC50 = 26 nM )
ln Vitro	Mavorixafor (AMD-070) is an effective and readily available oral CXCR4 antagonist. It inhibits the replication of T-tropic HIV-1 (NL4.3 strain) in MT-4 cells and PBMCs with an IC50 of 1 and 9 nM, respectively, and has an IC50 value of 13 nM against CXCR4 125I-SDF binding. Regarding other chemokine receptors (CCR1, CCR2b, CCR4, CCR5, CXCR1, and CXCR2), mavorixafor (AMD-070) exhibits no effect[1]. The growth, migration, and matrigel invasion of B88-SDF-1 cells are significantly suppressed by mavorixafor (AMD-070) at 6.6 µM[2].
ln Vivo	Mavorixafor (AMD-070) (2 mg/kg, p.o.) decreases the expression of human Alu DNA in mice and dramatically reduces the number of metastatic lung nodules in mice without causing a decrease in body weight[2].
Cell Assay	On a 96-well plate, 5 × 103 cells/well are seeded with DMEM containing 10% FCS. The cells are treated with or without 2 µM AMD3100 or 6.6 µM AMD-070 after a 24-hour period. An assay employing MTT is used to quantify the number of cells after 24 or 48 hours[2].
Animal Protocol	Mice: In a pathogen-free environment, BALB/c nude mice are raised. As soon as the mice reach eight weeks of age, the experiments begin. In summary, 1×106 nude mice have their blood vessels inoculated with the cells. Day 49 is the time of the mice's sacrifice. H&E staining is used to determine whether distant metastases are present or absent. The mice are given 0.2 mL of saline as a vehicle or the same volume of Mavorixafor (AMD-070) (2 mg/kg) orally every day as part of their experimental chemotherapy treatment[2].
References	[1]. Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. J Med Chem. 2010 Apr 22;53(8):3376-88. [2]. Effect of a novel orally bioavailable CXCR4 inhibitor, AMD070, on the metastasis of oral cancer cells. Oncol Rep. 2018 Jul;40(1):303-308.

Solubility Data

Solubility (In Vitro)

DMSO: ~150 mg/mL (~326.9 mM) H2O: ~100 mg/mL (~217.9 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.62 mg/mL (5.71 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.62 mg/mL (5.71 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 0.6 mg/mL (1.31 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 6.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 4: ≥ 0.6 mg/mL (1.31 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 6.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution, and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 5: ≥ 0.6 mg/mL (1.31 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 6.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 6: 100 mg/mL (217.93 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1793 mL	10.8966 mL	21.7931 mL
	5 mM	0.4359 mL	2.1793 mL	4.3586 mL
	10 mM	0.2179 mL	1.0897 mL	2.1793 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.