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Aberrant tau degrader 2

CAT: 0013-GTR19249467-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249467-01Size:25 mg
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Description
Compound 4-12, known as Aberrant tau degrader 2, is a small molecule ligand that selectively targets tau protein for degradation. It serves as a key component for constructing PROTAC molecules and is utilized in neurodegenerative disease research, including in vitro studies of tauopathy models.
CAS Number
2417159-58-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C (O) CN (C1=NC (=NC (=N1) N2CCN (C (=O) C) CCC2) NCCC=3SC=CC3) C
Molecular Formula
C19H27N7O3S
Molecular Weight
433.528
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aberrant tau ligand 2
CAS Number2417159-58-9
PubChem CID162425113
IUPAC Name2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetic acid
Molecular FormulaC19H27N7O3S
Molecular Weight433.5
XLogP2.1
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity584
SMILES
CC(=O)N1CCCN(CC1)C2=NC(=NC(=N2)NCCC3=CC=CS3)N(C)CC(=O)O
InChI
InChI=1S/C19H27N7O3S/c1-14(27)25-8-4-9-26(11-10-25)19-22-17(20-7-6-15-5-3-12-30-15)21-18(23-19)24(2)13-16(28)29/h3,5,12H,4,6-11,13H2,1-2H3,(H,28,29)(H,20,21,22,23)
InChIKey
QYUIOYXDVXTREL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aberrant tau ligand 2
CAS: 2417159-58-9
CID: 162425113
Formula: C19H27N7O3S
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass433.18960892
Monoisotopic Mass433.18960892
Topological Polar Surface Area143 Ų
Heavy Atom Count30
Formal Charge0
Complexity584
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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