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MARK-IN-2

CAT: 0931-T11946-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11946-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314893-26-9
Target
AMPK, Others
Related Pathways
PI3K/Akt/mTOR signaling, Others, Chromatin/Epigenetic
Bioactivity
MARK-IN-2 is a potent inhibitor of microtubule affinity-regulating kinase (MARK) with an IC50 of 5 nM.
Smiles
CC1=C(C2=C3N(N=C2)C=C(Cl)C=N3)C=C(C(N[C@H]4C(F)(F)CCC[C@H]4N)=O)S1
Molecular Formula
C18H18ClF2N5OS
Molecular Weight
425.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mark-IN-2
CAS Number1314893-26-9
PubChem CID89735655
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-5-methylthiophene-2-carboxamide
Molecular FormulaC18H18ClF2N5OS
Molecular Weight425.9
XLogP3
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity602
SMILES
CC1=C(C=C(S1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)C3=C4N=CC(=CN4N=C3)Cl
InChI
InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1
InChIKey
NGFGTMFVWSDFPS-UKRRQHHQSA-N
Chemical Structure
2D Structure
2D structure of Mark-IN-2
CAS: 1314893-26-9
CID: 89735655
Formula: C18H18ClF2N5OS
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass425.0888654
Monoisotopic Mass425.0888654
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity602
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