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Tau protein aggregation-IN-1

CAT: 0804-HY-153427Size: 1 EachDry Ice: NoHazardous: No
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Description
Tau protein aggregation-IN-1 (Compound 0c) is a Tau protein aggregation inhibitor. Tau protein aggregation-IN-1 can be used in the study of protein folding disorders such as Alzheimer's disease, dementia, Parkinson's disease, Huntington's disease and prion-based spongiform encephalopathies[1].
CAS Number
916179-45-8
UNSPSC
12352005
Target
Tau Protein
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tau-protein-aggregation-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C2NC=C(C2=C1)C3=CNC4=C3C=C(Br)C=C4)O
Molecular Formula
C17H11BrN2O2
Molecular Weight
355.19
References & Citations
[1]Michael D Carter, et al. Treatment of protein folding disorders. WO2006125324A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tau protein aggregation-IN-1
CAS Number916179-45-8
PubChem CID16093473
IUPAC Name3-(5-bromo-1H-indol-3-yl)-1H-indole-5-carboxylic acid
Molecular FormulaC17H11BrN2O2
Molecular Weight355.2
XLogP4
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity446
SMILES
C1=CC2=C(C=C1C(=O)O)C(=CN2)C3=CNC4=C3C=C(C=C4)Br
InChI
InChI=1S/C17H11BrN2O2/c18-10-2-4-16-12(6-10)14(8-20-16)13-7-19-15-3-1-9(17(21)22)5-11(13)15/h1-8,19-20H,(H,21,22)
InChIKey
UUSPZIQJACESNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tau protein aggregation-IN-1
CAS: 916179-45-8
CID: 16093473
Formula: C17H11BrN2O2
MW: 355.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.2
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass354.00039
Monoisotopic Mass354.00039
Topological Polar Surface Area68.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity446
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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