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MedKoo Cat#: 561449 | Name: MRT-68601 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MRT-68601 HCl is a potent TBK1 (TANK-binding kinase-1). It inhibits the formation of autophagosomes in lung cancer cells.

Chemical Structure

MRT-68601 HCl
MRT-68601 HCl
CAS#1190379-37-3 (free base)

Theoretical Analysis

MedKoo Cat#: 561449

Name: MRT-68601 HCl

CAS#: 1190379-37-3 (free base)

Chemical Formula: C25H35ClN6O2

Exact Mass:

Molecular Weight: 487.05

Elemental Analysis: C, 61.65; H, 7.24; Cl, 7.28; N, 17.26; O, 6.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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.