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TTBK1/2-IN-3

CAT: 0931-T206217-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206217-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2857982-34-2
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Bioactivity
TTBK1/2-IN-3 (compound 10) is a potent inhibitor of Tau tubulin kinase 1 (TTBK1) and TTBK2, with IC50 values of 579 nM and 258 nM, respectively. TTBK1/2-IN-3 can reduce the expression of primary cilia on the surface of human induced pluripotent stem cells (iPSC) .
Smiles
OC(C#CC=1C=CC=2NC3=C(C=4N=C(N=CC4CCC3)N)C2C1)(C)CC
Molecular Formula
C21H22N4O
Molecular Weight
346.426
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Amino-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methylpent-1-yn-3-ol
CAS Number2857982-34-2
PubChem CID177823076
IUPAC Name1-(4-amino-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methylpent-1-yn-3-ol
Molecular FormulaC21H22N4O
Molecular Weight346.4
XLogP3
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity583
SMILES
CCC(C)(C#CC1=CC2=C(C=C1)NC3=C2C4=NC(=NC=C4CCC3)N)O
InChI
InChI=1S/C21H22N4O/c1-3-21(2,26)10-9-13-7-8-16-15(11-13)18-17(24-16)6-4-5-14-12-23-20(22)25-19(14)18/h7-8,11-12,24,26H,3-6H2,1-2H3,(H2,22,23,25)
InChIKey
ALQLTPNCVCECNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Amino-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methylpent-1-yn-3-ol
CAS: 2857982-34-2
CID: 177823076
Formula: C21H22N4O
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass346.17936134
Monoisotopic Mass346.17936134
Topological Polar Surface Area87.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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