WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H523101
CAS#: 1414376-84-3
Description: VUF-11222 is a high affinity non-peptide CXCR3 agonist (pKi = 7.2).
Hodoodo Cat#: H523101
Name: VUF-11222
CAS#: 1414376-84-3
Chemical Formula: C25H31BrIN
Exact Mass: 551.07
Molecular Weight: 552.340
Elemental Analysis: C, 54.36; H, 5.66; Br, 14.47; I, 22.98; N, 2.54
This product is not in stock, which may be available by custom synthesis.
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Synonym: VUF-11222, VUF 11222, VUF11222
IUPAC/Chemical Name: 2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide
InChi Key: IXXWHYDKYNWDKJ-IUQUCOCYSA-M
InChi Code: InChI=1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1
SMILES Code: C[N+](C)(CC1=CC[C@]2([H])C(C)(C)[C@@]1([H])C2)CC3=CC=C(C4=CC=CC=C4Br)C=C3.[I-]
Appearance: 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, not in water
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: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 552.34 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: Wijtmans M, Scholten DJ, Roumen L, Canals M, Custers H, Glas M, Vreeker MC, de Kanter FJ, de Graaf C, Smit MJ, de Esch IJ, Leurs R. Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands. J Med Chem. 2012 Dec 13;55(23):10572-83. doi: 10.1021/jm301240t. Epub 2012 Nov 14. PubMed PMID: 23150943.