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MRT-68921

CAT: 0013-GTR19164168-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164168-02Size:500 mg
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Description
A potent, relatively specific inhibitor of both ULK1 and ULK2 with IC50 of 2.9 and 1.1 nM, respectively; inhibits a number of kinases by over 80% in a broad panel of 80 protein kinases, including TBK1 and AMPK; reduces phospho-ATG13 and blocks autophagy in cells.
CAS Number
1190379-70-4
Product Name Alternative
MRT68921 | MRT 68921
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CN1CCC2=C (C1) C=CC (=C2) NC3=NC=C (C (=N3) NCCCNC (=O) C4CCC4) C5CC5
Molecular Formula
C25H34N6O
Molecular Weight
434.5771
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Cyclobutanecarboxamide, N-[3-[[5-cyclopropyl-2-[ (1,2,3,4-tetrahydro-2-methyl-6-isoquinolinyl) amino]-4-pyrimidinyl]amino]propyl]-

Chemical Information

N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CAS Number1190379-70-4
PubChem CID59225335
IUPAC NameN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
Molecular FormulaC25H34N6O
Molecular Weight434.6
XLogP4.4
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity624
SMILES
CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4CCC4)C5CC5
InChI
InChI=1S/C25H34N6O/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30)
InChIKey
KKISLZKMBSCLSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CAS: 1190379-70-4
CID: 59225335
Formula: C25H34N6O
MW: 434.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.6
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass434.27940973
Monoisotopic Mass434.27940973
Topological Polar Surface Area82.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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