HC-3

    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.


Price and Availability

Size
Price

Size
Price

Size
Price

HC-3 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

img

Theoretical Analysis

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


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-]


Technical Data

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).

Harmonized System Code:
293490


References

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.