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TTBK1/2-IN-1

CAT: 0013-GTR19258600-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258600-01Size:50 mg
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Description
TTBK1/2-IN-1 (compound 3) is a potent inhibitor of Tau tubulin kinase 1 (TTBK1) and TTBK2, with IC50 values of 816 nM and 384 nM, respectively.
CAS Number
2342571-09-7
Field of Research
Neuroscience, Signal Transduction
Smiles
OC (C#CC=1C=CC=2NC=C (C=3N=C (N=CC3) N) C2C1) (C) C
Molecular Formula
C17H16N4O
Molecular Weight
292.335
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol
CAS Number2342571-09-7
PubChem CID167714236
IUPAC Name4-[3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl]-2-methylbut-3-yn-2-ol
Molecular FormulaC17H16N4O
Molecular Weight292.33
XLogP1.7
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity466
SMILES
CC(C)(C#CC1=CC2=C(C=C1)NC=C2C3=NC(=NC=C3)N)O
InChI
InChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21)
InChIKey
YYAZUVAPGBAUDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol
CAS: 2342571-09-7
CID: 167714236
Formula: C17H16N4O
MW: 292.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.33
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass292.13241115
Monoisotopic Mass292.13241115
Topological Polar Surface Area87.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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