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MRT68921 dihydrochloride

CAT: 0957-E8167-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E8167-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2080306-21-2
Additionnal Information
MRT68921 dihydrochloride is a potent inhibitor of ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM, respectively.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

N-(3-((5-cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide dihydrochloride
CAS Number2080306-21-2
PubChem CID124201611
IUPAC NameN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochloride
Molecular FormulaC25H36Cl2N6O
Molecular Weight507.5
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity624
SMILES
CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4CCC4)C5CC5.Cl.Cl
InChI
InChI=1S/C25H34N6O.2ClH/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);2*1H
InChIKey
NLKPLTWKINJHCK-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 dihydrochloride
CAS: 2080306-21-2
CID: 124201611
Formula: C25H36Cl2N6O
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass506.2327652
Monoisotopic Mass506.2327652
Topological Polar Surface Area82.2 Ų
Heavy Atom Count34
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 Count3
Compound Is CanonicalizedYes

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