WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H206522
CAS#: 1191450-19-7 (HBr)
Description: Burixafor, also known as TG-0054, is an orally bioavailable inhibitor of CXC chemokine receptor 4 (CXCR4) with receptor binding and hematopoietic stem cell-mobilization activities. Burixafor binds to the chemokine receptor CXCR4, thereby preventing the binding of stromal derived factor-1 (SDF-1 or CXCL12) to the CXCR4 receptor and subsequent receptor activation; this may the mobilization of hematopoietic stem and progenitor cells from the bone marrow into blood. Note: Elemental analysis showed it was a salt with 3 HBr and 3 water.
Hodoodo Cat#: H206522
Name: Burixafor HBr
CAS#: 1191450-19-7 (HBr)
Chemical Formula: C27H60Br3N8O6P
Exact Mass: 566.38
Molecular Weight: 863.510
Elemental Analysis: C, 37.56; H, 7.00; Br, 27.76; N, 12.98; O, 11.12; P, 3.59
Related CAS #: 1191450-19-7 (HBr) 1191448-17-5 (free acid)
Synonym: TG-0054; TG 0054; TG0054; Burixafor; Burixafor HBr; Burixafor HBr hydrate; Burixafor trihydrobromide trihydrate
IUPAC/Chemical Name: (2-(4-(6-amino-2-((((1r,4r)-4-(((3-(cyclohexylamino)propyl)amino)methyl)cyclohexyl)methyl)amino)pyrimidin-4-yl)piperazin-1-yl)ethyl)phosphonic acid trihydrobromide trihydrate
InChi Key: FAIXPLRLFBALHM-MCXZQIONSA-N, VXFATXVZERUULG-YCGNAKKISA-N (3HBr 3H2O).
InChi Code: InChI=1S/C27H51N8O3P.3BrH.3H2O/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24;;;;;;/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);3*1H;3*1H2/t22-,23-;;;;;;
SMILES Code: NC1=CC(N2CCN(CCP(O)(O)=O)CC2)=NC(NC[C@H]3CC[C@H](CNCCCNC4CCCCC4)CC3)=N1.[H]Br.[H]Br.[H]Br.[H]O[H].[H]O[H].[H]O[H]
Appearance: White to off-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, water and ethanol.
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: 2934.99.03.00
More Info:
| Biological target: | |
| In vitro activity: | |
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The following data is based on the product molecular weight 863.51 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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Hsu WT, Lin CH, Jui HY, Tseng YH, Shun CT, Hsu MC, Wu KK, Lee CM. CXCR4 Antagonist Reduced the Incidence of Acute Rejection and Controlled Cardiac Allograft Vasculopathy in a Swine Heart Transplant Model Receiving a Mycophenolate-based Immunosuppressive Regimen. Transplantation. 2018 Dec;102(12):2002-2011. doi: 10.1097/TP.0000000000002404. PMID: 30095739; PMCID: PMC6257103.
2: Nuñez RE, Del Valle MM, Ortiz K, Almodovar L, Kucheryavykh L. Microglial Cytokines Induce Invasiveness and Proliferation of Human Glioblastoma through Pyk2 and FAK Activation. Cancers (Basel). 2021 Dec 7;13(24):6160. doi: 10.3390/cancers13246160. PMID: 34944779; PMCID: PMC8699228.
3: Teralı K, Baddal B, Gülcan HO. Prioritizing potential ACE2 inhibitors in the COVID-19 pandemic: Insights from a molecular mechanics-assisted structure-based virtual screening experiment. J Mol Graph Model. 2020 Nov;100:107697. doi: 10.1016/j.jmgm.2020.107697. Epub 2020 Jul 23. PMID: 32739642; PMCID: PMC7377801.
4: Sahu A, Gaur M, Mahanandia NC, Subudhi E, Swain RP, Subudhi BB. Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs against them: An in silico approach. Comput Biol Med. 2023 Jul;161:106971. doi: 10.1016/j.compbiomed.2023.106971. Epub 2023 Apr 22. PMID: 37211001; PMCID: PMC10122558.
