Mavorixafor trihydrochloride - ≥98% , CAS No.2309699-17-8

CAS: 2309699-17-8 Cat. No.: M649127 Molecular Weight: 458.86 PubChem CID: 78357868

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Mavorixafor trihydrochloride (AMD-070 trihydrochloride) is a potent, selective and orally available CXCR4 antagonist, with an IC 50 value of 13 nM against CXCR4 125 I-SDF binding, and also inhibits the replication of T-tropic HIV-1 (NL4.3 strain) in MT-4 cells and PBMCs with an IC 50 of 1 and 9 nM, respectively.

In Vitro

Mavorixafor (AMD-070) is a potent and orally available CXCR4 antagonist, with an IC 50 value of 13 nM against CXCR4 125 I-SDF binding, and also inhibits the replication of T-tropic HIV-1 (NL4.3 strain) in MT-4 cells and PBMCs with an IC 50 of 1 and 9 nM, respectively. Mavorixafor (AMD-070) shows no effect on other chemokine receptors (CCR1, CCR2b, CCR4, CCR5, CXCR1, and CXCR2). Mavorixafor (AMD-070) (6.6 µM) significantly suppresses the anchorage-dependent growth, the migration and matrigel invasion of the B88-SDF-1 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Mavorixafor (AMD-070) (2 mg/kg, p.o.) significantly reduces the number of metastatic lung nodules in mice, and lowers the expression of human Alu DNA in mice, without body weight loss. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

Cells are seeded on a 96-well plate at 5 × 10 3 cells/well in DMEM containing 10% FCS. Twenty-four hours later, the cells are treated with or without 2 µM Mavorixafor (AMD-070) or 6.6 µM AMD-070 . After 24 or 48 h , the number of cells is quantified by an assay using MTT. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal administration

Mice BALB/c nude mice are maintained under pathogen-free conditions. The experiments are initiated when the mice are 8 weeks of age. Briefly, the cells are inoculated into the blood vessels of nude mice ( 1× 10 6 ). These mice are sacrificed at day 49. The presence or absence of distant metastases is confirmed by hematoxylin and eosin (H&E) staining. For experimental chemotherapy, the mice are treated by the daily oral administration of 0.2 mL of saline for a vehicle or the same volume of Mavorixafor (AMD-070) (2 mg/kg) . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:125 I-SDF-CXCR4 13 nM (IC 50 ) HIV-1 (NL4.3 strain) 1 nM (IC 50 , in MT-4 cells) HIV-1 (NL4.3 strain) 9 nM (IC 50 , in PBMCs) HIV-1 (NL4.3 strain) 3 nM (IC90, in MT-4 cells) HIV-1 (NL4.3 strain) 26 nM (IC90, in PBMCs)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Mavorixafor trihydrochloride (AMD-070 trihydrochloride) is a potent, selective and orally available CXCR4 antagonist, with an IC 50 value of 13 nM against CXCR4 125 I-SDF binding, and also inhibits the replication of T-tropic HIV-1 (NL4.3 strain) in MT-4

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3.Cl.Cl.Cl
• IUPAC Name: N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;trihydrochloride
• InChIKey: FTHQTOSCZZCGHB-VLEZWVESSA-N
• 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
• Isomeric SMILES: C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3.Cl.Cl.Cl
• PubChem CID: 78357868
• Molecular Weight: 458.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Hydroquinolines Benzimidazoles Aralkylamines Pyridines and derivatives Benzenoids Imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Tetrahydroquinoline - Benzimidazole - Aralkylamine - Pyridine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 150 mg/mL (326.90 mM; Need ultrasonic) H2O : 100 mg/mL (217.93 mM; Need ultrasonic)