WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 561160
CAS#: 18997-39-2
Description: HC-3 is an inhibitor of ChoK. HC-3 binds at the conserved hydrophobic groove on the C-terminal lobe.
MedKoo Cat#: 561160
Name: HC-3
CAS#: 18997-39-2
Chemical Formula: C24H34Cl2N2O4
Exact Mass:
Molecular Weight: 485.45
Elemental Analysis: C, 59.38; H, 7.06; Cl, 14.61; N, 5.77; O, 13.18
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Synonym: HC-3; HC 3; HC3
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-]
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
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
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 |
1: Hong BS, Allali-Hassani A, Tempel W, Finerty PJ Jr, Mackenzie F, Dimov S,
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.
2: Gabellieri C, Beloueche-Babari M, Jamin Y, Payne GS, Leach MO, Eykyn TR.
Modulation of choline kinase activity in human cancer cells observed by dynamic
31P NMR. NMR Biomed. 2009 May;22(4):456-61. doi: 10.1002/nbm.1361. PubMed PMID:
19156696.
3: Hernández-Alcoceba R, Saniger L, Campos J, Núñez MC, Khaless F, Gallo MA,
Espinosa A, Lacal JC. Choline kinase inhibitors as a novel approach for
antiproliferative drug design. Oncogene. 1997 Nov 6;15(19):2289-301. PubMed PMID:
9393874.
