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Aβ/tau aggregation-IN-1

CAT: 0804-HY-141661-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141661-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aβ/tau aggregation-IN-1 is a potent Aβ1-42 β-sheets formation and tau aggregation inhibitor. The KD values of Aβ/tau aggregation-IN-1 with Aβ1-42 and tau are 160 μM and 337 μM, respectively. Aβ/tau aggregation-IN-1 can permeate the blood-brain barrier[1].
CAS Number
2252162-81-3
UNSPSC
12352005
Target
Amyloid-β
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/aβ-tau-aggregation-in-1.html
Concentration
10mM
Purity
98.10
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
NC1=C2C(CC/C(C2=O)=C\C3=CC=CC4=C3C=CC=C4)=[N+](C5=CC=CC=C51)C.[I-]
Molecular Formula
C25H21IN2O
Molecular Weight
492.35
References & Citations
[1] Lv P, et al. Synthesis and evaluation of 1,2,3,4-tetrahydro-1-acridone analogues as potential dual inhibitors for amyloid-beta and tau aggregation. Bioorg Med Chem. 2018;26 (16) :4693-4705.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Abeta/tau aggregation-IN-1
CAS Number2252162-81-3
PubChem CID145982772
IUPAC Name(2E)-9-amino-10-methyl-2-(naphthalen-1-ylmethylidene)-3,4-dihydroacridin-10-ium-1-one iodide
Molecular FormulaC25H21IN2O
Molecular Weight492.4
Topological Polar Surface Area47
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity628
SMILES
C[N+]1=C2CC/C(=C\C3=CC=CC4=CC=CC=C43)/C(=O)C2=C(C5=CC=CC=C51)N.[I-]
InChI
InChI=1S/C25H20N2O.HI/c1-27-21-12-5-4-11-20(21)24(26)23-22(27)14-13-18(25(23)28)15-17-9-6-8-16-7-2-3-10-19(16)17;/h2-12,15,26H,13-14H2,1H3;1H/b18-15+;
InChIKey
ZPWPPSSEAGEKIT-FLNCGGNMSA-N
Chemical Structure
2D Structure
2D structure of Abeta/tau aggregation-IN-1
CAS: 2252162-81-3
CID: 145982772
Formula: C25H21IN2O
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass492.06986
Monoisotopic Mass492.06986
Topological Polar Surface Area47 Ų
Heavy Atom Count29
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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