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MedKoo Cat#: 574801 | Name: MRT-68601 hydrochloride

Description:

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

MRT-68601 hydrochloride is a potent TANK-binding kinase-1 (TBK1) inhibitor, which inhibits the formation of autophagosomes in lung cancer cells.

Chemical Structure

MRT-68601 hydrochloride
MRT-68601 hydrochloride
CAS#1962928-25-1

Theoretical Analysis

MedKoo Cat#: 574801

Name: MRT-68601 hydrochloride

CAS#: 1962928-25-1

Chemical Formula: C25H34N6O2

Exact Mass: 450.2743

Molecular Weight: 450.59

Elemental Analysis: C, 66.64; H, 7.61; N, 18.65; O, 7.10

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 hydrochloride; MRT-68601 HCl
IUPAC/Chemical Name
N-[3-[[5-Cyclopropyl-2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide
InChi Key
CJPMSUUANYLPET-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H34N6O2/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)
SMILES Code
O=C(C1CCC1)NCCCNC2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2C5CC5
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
>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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 450.59 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. Aravamudhan A, Haak AJ, Choi KM, Meridew JA, Caporarello N, Jones DL, Tan Q, Ligresti G, Tschumperlin DJ. TBK1 regulates YAP/TAZ and fibrogenic fibroblast activation. Am J Physiol Lung Cell Mol Physiol. 2020 May 1;318(5):L852-L863. doi: 10.1152/ajplung.00324.2019. Epub 2020 Mar 11. PMID: 32159970; PMCID: PMC7272740. 2. Xu W, Mo J, Ocak U, Travis ZD, Enkhjargal B, Zhang T, Wu P, Peng J, Li T, Zuo Y, Shao A, Tang J, Zhang J, Zhang JH. Activation of Melanocortin 1 Receptor Attenuates Early Brain Injury in a Rat Model of Subarachnoid Hemorrhage viathe Suppression of Neuroinflammation through AMPK/TBK1/NF-κB Pathway in Rats. Neurotherapeutics. 2020 Jan;17(1):294-308. doi: 10.1007/s13311-019-00772-x. PMID: 31486022; PMCID: PMC7007470.