IUPAC/Chemical Name
2,2'-([1,1'-biphenyl]-4,4'-diyl)bis(2-hydroxy-4,4-dimethylmorpholin-4-ium) chloride
InChi Key
WYRWVFLAKFOEBQ-UHFFFAOYSA-L
InChi Code
InChI=1S/C24H34N2O4.2ClH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
SMILES Code
C[N+]1(C)CC(C2=CC=C(C3=CC=C(C4(O)C[N+](C)(C)CCO4)C=C3)C=C2)(O)OCC1.[Cl-].[Cl-]
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
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
485.45
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 |
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Vedadi M, Park HW. Crystal structures of human choline kinase isoforms in complex
with hemicholinium-3: single amino acid near the active site influences inhibitor
sensitivity. J Biol Chem. 2010 May 21;285(21):16330-40. doi:
10.1074/jbc.M109.039024. Epub 2010 Mar 18. PubMed PMID: 20299452; PubMed Central
PMCID: PMC2871500.
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Modulation of choline kinase activity in human cancer cells observed by dynamic
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19156696.
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Espinosa A, Lacal JC. Choline kinase inhibitors as a novel approach for
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9393874.
