A5602

AMD3100 octahydrochloride hydrate

≥97% (NMR), solid, CXCR4 antagonist

• Synonym(s): 1,1′-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride, JM3100, Plerixafor, SID791
• Empirical Formula (Hill Notation): C₂₈H₅₄N₈ · 8HCl · xH₂O
• CAS Number: 155148-31-5
• Molecular Weight: 794.47 (anhydrous basis)
• MDL number: MFCD29072959
• UNSPSC Code: 51111800
• PubChem Substance ID: 24724394
• NACRES: NA.77
• Assay: ≥97% (NMR)
• Form: solid
• Storage condition: desiccated

Properties

• Product Name: AMD3100 octahydrochloride hydrate, ≥97% (NMR), solid
• Quality Segment: 100
• assay: ≥97% (NMR)
• form: solid
• storage condition: desiccated
• solubility: H₂O: ≥10 mg/mL, clear
• originator: Sanofi Aventis
• storage temp.: −20°C
• SMILES string: Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].[H]O[H].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2
• InChI: 1S/C28H54N8.8ClH.H2O/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H;1H2
• InChI key: GKFHDCZYJHUPEN-UHFFFAOYSA-N

Description

Application

AMD3100 is a highly specific chemokine receptor CXCR4 antagonist. AMD3100 has been used in a study to determine the blockade of CXCR4 in oral squamous cell carcinoma and inhibition of lymph node metastases.

Biochem/physiol Actions

AMD3100 is a highly specific chemokine receptor CXCR4 antagonist.

Features and Benefits

This compound was developed by Sanofi Aventis. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)