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MARK-IN-4

CAT: 0013-GTR19186359-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186359-02Size:5 mg
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Description
MARK-IN-4 is a highly potent, nanomolar inhibitor of microtubule affinity-regulating kinase (MARK), with an IC50 of 1 nM. This compound is a valuable research tool for investigating MARK's role in tau phosphorylation and neurofibrillary tangle pathology, relevant to Alzheimer's disease studies in cellular and biochemical models.
CAS Number
1990492-86-8
Field of Research
Signal Transduction
Purity
99.93% (May vary between batches)
Smiles
C (N[C@H]1[C@H] (N) CCCC1) (=O) C2=CC (C3=C4N (C=C (C=N4) C=5C=NN (C) C5) N=C3) =CS2
Molecular Formula
C21H23N7OS
Molecular Weight
421.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mark-IN-4
CAS Number1990492-86-8
PubChem CID68776463
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
Molecular FormulaC21H23N7OS
Molecular Weight421.5
XLogP1.6
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity624
SMILES
CN1C=C(C=N1)C2=CN3C(=C(C=N3)C4=CSC(=C4)C(=O)N[C@@H]5CCCC[C@H]5N)N=C2
InChI
InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18-/m1/s1
InChIKey
LYADGAGFYYXXIO-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of Mark-IN-4
CAS: 1990492-86-8
CID: 68776463
Formula: C21H23N7OS
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass421.16847956
Monoisotopic Mass421.16847956
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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