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Simufilam dihydrochloride

CAT: 0931-T9172-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9172-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2480226-06-8
Target
Beta Amyloid, AChR, mTOR, Others, Microtubule Associated, iGluR
Related Pathways
PI3K/Akt/mTOR signaling, Others, Neuroscience, Membrane transporter/Ion channel, Cytoskeletal Signaling
Purity
0.9972
Bioactivity
Simufilam dihydrochloride (PTI-125 dihydrochloride) is a low toxicity, orally active filamin A (FLNA) activator, which can be used for the research of Alzheimer's disease. Simufilam dihydrochloride preferentially binds altered FLNA and restores its native conformation, restoring receptor and synaptic activities and reducing its α7nAChR/TLR4 associations and downstream pathologies.
Smiles
[H]Cl.O=C1N(CC2=CC=CC=C2)C3(CCN(C)CC3)NC1.[H]Cl
Molecular Formula
C15H23Cl2N3O
Molecular Weight
332.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Simufilam dihydrochloride
CAS Number2480226-06-8
PubChem CID155068887
IUPAC Name4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;dihydrochloride
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.3
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3.Cl.Cl
InChI
InChI=1S/C15H21N3O.2ClH/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;;/h2-6,16H,7-12H2,1H3;2*1H
InChIKey
IZIPGYSLPYPJDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Simufilam dihydrochloride
CAS: 2480226-06-8
CID: 155068887
Formula: C15H23Cl2N3O
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass331.1218178
Monoisotopic Mass331.1218178
Topological Polar Surface Area35.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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