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MARK-IN-4

CAT: 0931-T62251-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62251-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1990492-86-8
Target
AMPK, Others
Related Pathways
Chromatin/Epigenetic, PI3K/Akt/mTOR signaling, Others
Bioactivity
MARK-IN-4, a potent inhibitor of microtubule affinity-regulated kinase (MARK) (IC50: 1 nM), presents a promising strategy for blocking neurofibrillary tangles in Alzheimer's disease.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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