MedKoo Cat#: 126082 | Name: Burixafor

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

Burixafor
Burixafor
CAS#1191448-17-5 (free acid)

Theoretical Analysis

MedKoo Cat#: 126082

Name: Burixafor

CAS#: 1191448-17-5 (free acid)

Chemical Formula: C27H51N8O3P

Exact Mass: 566.3822

Molecular Weight: 566.73

Elemental Analysis: C, 57.22; H, 9.07; N, 19.77; O, 8.47; P, 5.47

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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
InChi Key
QLVSJMZJSABWRX-YHBQERECSA-N
InChi Code
InChI=1S/C27H51N8O3P/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)/t22-,23-
SMILES Code
NC1=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=NC(=C1)N4CCN(CCP(O)(O)=O)CC4
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 566.73 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.

Recalculate based on batch purity %
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
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.