Products for Research Use Only

MTK458

CAT: 0013-GTR19243692-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243692-01Size:100 mg
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Description
MTK458 is an orally active brain penetrant PINK1 activator. MTK458 binds to PINK1 and stabilizes an active heterocomplex, thereby increasing mitophagy. MTK458 can be used for research on Parkinson's disease.
CAS Number
2499962-58-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (300.91 mM; Ultrasonic)
Smiles
N (C1=C2C (NC (C (F) (F) F) =C2) =NC=N1) [C@H]3C=4C (CCC3) =CC=CC4
Molecular Formula
C17H15F3N4
Molecular Weight
332.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mitophagy activator 1
CAS Number2499962-58-0
PubChem CID155187445
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC17H15F3N4
Molecular Weight332.32
XLogP4.2
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity444
SMILES
C1C[C@H](C2=CC=CC=C2C1)NC3=NC=NC4=C3C=C(N4)C(F)(F)F
InChI
InChI=1S/C17H15F3N4/c18-17(19,20)14-8-12-15(21-9-22-16(12)24-14)23-13-7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24)/t13-/m1/s1
InChIKey
JOIONRWKOGDQOG-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Mitophagy activator 1
CAS: 2499962-58-0
CID: 155187445
Formula: C17H15F3N4
MW: 332.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.32
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass332.12488098
Monoisotopic Mass332.12488098
Topological Polar Surface Area53.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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