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MRT68921 dihydrochloride

CAT: 0013-GTR19165767-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165767-01Size:2 mg
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Description
MRT68921 dihydrochloride is a potent and selective dual inhibitor of the autophagy-initiating kinases ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM, respectively. This compound is a valuable chemical probe for investigating autophagy mechanisms in both cellular and in vivo models of cancer and neurodegenerative disease research.
CAS Number
2080306-21-2
Product Name Alternative
Inhibitor, MRT 68921, MRT 68921 Dihydrochloride, MRT68921, MRT-68921, MRT68921 dihydrochloride, MRT68921 Dihydrochloride, MRT-68921 dihydrochloride, MRT-68921 Dihydrochloride, inhibit, Unc-51 like kinase, ULK, ULK2, ULK1
Field of Research
Cell Biology
Purity
98.91% (May vary between batches)
Solubility
H2O:33.33 mg/mL (65.68 mM) ; DMSO:2 mg/mL (3.94 mM)
Smiles
Cl.Cl.CN1CCc2cc (Nc3ncc (C4CC4) c (NCCCNC (=O) C4CCC4) n3) ccc2C1
Molecular Formula
C25H36Cl2N6O
Molecular Weight
507.499
Storage Conditions
-20°C
Notes
For research use only.

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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Alternative Products

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HY-100006A-01MRT68921 (dihydrochloride)
MBS3846077-01MRT68921 dihydrochloride
A21650-200MRT68921 dihydrochloride 200mg
A21650-25MRT68921 dihydrochloride 25mg
A21650-100MRT68921 dihydrochloride 100mg
A21650-10MRT68921 dihydrochloride 10mg
A21650-2MRT68921 dihydrochloride 2mg
A21650-1MRT68921 dihydrochloride 1mg
HY-100006ARMRT68921 (dihydrochloride) (Standard)
A21650-50MRT68921 dihydrochloride 50mg

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