Synonym
KINK-1; KINK 1; KINK1; Bay65-1942 Hydrochloride; Bay651942 Hydrochloride; Bay65-1942 HCl; Bay651942 HCl;
IUPAC/Chemical Name
7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-3-piperidinyl]-1,4-dihydro-2H-pyrido [2,3-d][1,3] oxazin-2-one Hydrochloride
InChi Key
XZTOAEZYOFWVHB-PFEQFJNWSA-N
InChi Code
InChI=1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1
SMILES Code
O=C1OCC2=C([C@H]3CNCCC3)C=C(C4=C(O)C=CC=C4OCC5CC5)N=C2N1.[H]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
>3 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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
431.91
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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2: Hund AC, Lockmann A, Schön MP. Mutually enhancing anti-inflammatory activities of dimethyl fumarate and NF-κB inhibitors--implications for dose-sparing combination therapies. Exp Dermatol. 2016 Feb;25(2):124-30. doi: 10.1111/exd.12892. Epub 2016 Jan 12. PubMed PMID: 26513635.
3: Pletz N, Schön M, Ziegelbauer K, Emmert S, Liu N, Dobbelstein M, Schön MP. Doxorubicin-induced activation of NF-κB in melanoma cells is abrogated by inhibition of IKKβ, but not by a novel IKKα inhibitor. Exp Dermatol. 2012 Apr;21(4):301-4. doi: 10.1111/j.1600-0625.2012.01440.x. Epub 2012 Feb 10. PubMed PMID: 22320445.
4: Amschler K, Schön MP, Pletz N, Wallbrecht K, Erpenbeck L, Schön M. NF-kappaB inhibition through proteasome inhibition or IKKbeta blockade increases the susceptibility of melanoma cells to cytostatic treatment through distinct pathways. J Invest Dermatol. 2010 Apr;130(4):1073-86. doi: 10.1038/jid.2009.365. Epub 2009 Nov 26. PubMed PMID: 19940859.
5: Schön M, Wienrich BG, Kneitz S, Sennefelder H, Amschler K, Vöhringer V, Weber O, Stiewe T, Ziegelbauer K, Schön MP. KINK-1, a novel small-molecule inhibitor of IKKbeta, and the susceptibility of melanoma cells to antitumoral treatment. J Natl Cancer Inst. 2008 Jun 18;100(12):862-75. doi: 10.1093/jnci/djn174. Epub 2008 Jun 10. PubMed PMID: 18544741.
