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MRT-68921

CAT: 1410-M10652-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10652-02Size:5 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.
CAS Number
1190379-70-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
434.5771
Molecular Formula
C25H34N6O
Notes
Research use only, not for human use.
Receptor
ULK1|ULK2

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...
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