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Chemical structure of TTBK1-IN-2

GC64877

TTBK1-IN-2

Also known as N-[4-(4-chlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

TTBK1-IN-2 (compound 29) is a potent Tau-Tubulin kinase (TTBK1) inhibitor with IC50s of 0·24 and 4·22 ?M, respectively

ChemicalCAS2765453-51-6MW336.78FormulaC18H13ClN4O
CAS number
2765453-51-6
Molecular weight
336.78
Formula
C18H13ClN4O
Solubility
DMSO ： 50 mg/mL (148·46 mM; ultrasonic and adjust pH to 2 with HCl)
InChIKey
RWRSKMSFZCQDMQ-UHFFFAOYSA-N
Catalogue number
GC64877
Brand
GLPBIO
Computed properties PubChem CID 162679313 · XLogP 4.7 · TPSA 62.8 Ų · H-bond donors 2
XLogP
4.7
TPSA
62.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

SMILES C1=CC(=CC=C1NC2=NC=NC3=C2C=CN3)OC4=CC=C(C=C4)Cl

Computed descriptors from PubChem (CID 162679313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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