WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 561449
CAS#: 1190379-37-3 (free base)
Description: MRT-68601 HCl is a potent TBK1 (TANK-binding kinase-1). It inhibits the formation of autophagosomes in lung cancer cells.
MedKoo Cat#: 561449
Name: MRT-68601 HCl
CAS#: 1190379-37-3 (free base)
Chemical Formula: C25H35ClN6O2
Molecular Weight: 487.05
Elemental Analysis: C, 61.65; H, 7.24; Cl, 7.28; N, 17.26; O, 6.57
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Synonym: MRT-68601 HCl; MRT 68601 HCl; MRT68601 HCl;
IUPAC/Chemical Name: N-[3-[[5-Cyclopropyl-2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide hydrochloride
InChi Key: BOBHGYDEKISHIZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C25H34N6O2.ClH/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31;/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30);1H
SMILES Code: O=C(C1CCC1)NCCCNC2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2C5CC5.[H]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 487.05 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: Newman AC, Scholefield CL, Kemp AJ, Newman M, McIver EG, Kamal A, Wilkinson S. TBK1 kinase addiction in lung cancer cells is mediated via autophagy of Tax1bp1/Ndp52 and non-canonical NF-κB signalling. PLoS One. 2012;7(11):e50672. doi: 10.1371/journal.pone.0050672. Epub 2012 Nov 29. PubMed PMID: 23209807; PubMed Central PMCID: PMC3510188.
2: McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis SJ, Osborne J, Smiljanic-Hurley E, Tsang W, Kamal A, Levy A, Newman M, Taylor D, Arthur JS, Clark K, Cohen P. Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε kinases. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7169-73. doi: 10.1016/j.bmcl.2012.09.063. Epub 2012 Sep 28. PubMed PMID: 23099093.