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MARK-IN-1

CAT: 0013-GTR19205466-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205466-01Size:25 mg
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Description
MARK-IN-1 is a highly potent and selective inhibitor of microtubule affinity-regulating kinases (MARKs), exhibiting an IC50 of less than 0.25 nM. This small molecule is a valuable research tool for investigating tau phosphorylation, neuronal polarity, and cell cycle regulation in both cellular and animal models of neurological diseases.
CAS Number
1109283-93-3
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
CC1=C (C2=C3N (N=C2) C=C (C=N3) C=4C=NN (C) C4) C=C (C (N[C@H]5C (F) (F) CCC[C@H]5N) =O) S1
Molecular Formula
C22H23F2N7OS
Molecular Weight
471.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CAS Number1109283-93-3
PubChem CID25141108
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
Molecular FormulaC22H23F2N7OS
Molecular Weight471.5
XLogP2.3
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity733
SMILES
CC1=C(C=C(S1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)C3=C4N=CC(=CN4N=C3)C5=CN(N=C5)C
InChI
InChI=1S/C22H23F2N7OS/c1-12-15(6-18(33-12)21(32)29-19-17(25)4-3-5-22(19,23)24)16-9-28-31-11-13(7-26-20(16)31)14-8-27-30(2)10-14/h6-11,17,19H,3-5,25H2,1-2H3,(H,29,32)/t17-,19-/m1/s1
InChIKey
SFILVHFYISPBOI-IEBWSBKVSA-N
Chemical Structure
2D Structure
2D structure of N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CAS: 1109283-93-3
CID: 25141108
Formula: C22H23F2N7OS
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass471.16528588
Monoisotopic Mass471.16528588
Topological Polar Surface Area131 Ų
Heavy Atom Count33
Formal Charge0
Complexity733
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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