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MRT68921 HCl

CAT: 0957-S7949-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7949-02Size:25 mg
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Description
MRT68921 is a potent and dual autophagy kinase ULK1/2 inhibitor with IC50 of 2.9 nM and 1.1 nM, respectively.
CAS Number
2070014-87-6
Target
Autophagy
Activity
Autophagy
Molecular Formula
C25H34N6O·xHCl
Storage Conditions
2 years -80 in solvent

Chemical Information

MRT68921 hydrochloride
CAS Number2070014-87-6
PubChem CID121230974
IUPAC NameN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;hydrochloride
Molecular FormulaC25H35ClN6O
Molecular Weight471.0
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4CCC4)C5CC5.Cl
InChI
InChI=1S/C25H34N6O.ClH/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);1H
InChIKey
SCEOGAWLKSVXHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MRT68921 hydrochloride
CAS: 2070014-87-6
CID: 121230974
Formula: C25H35ClN6O
MW: 471.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass470.2560875
Monoisotopic Mass470.2560875
Topological Polar Surface Area82.2 Ų
Heavy Atom Count33
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 Count2
Compound Is CanonicalizedYes

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