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TAK-218

CAT: 0804-HY-19262Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19262Size:1 Each
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Description
TAK-218 is a promising candidate as an agent tor central nervous system trauma and ischemia. TAK-218 exhibits potent scavenging activity and antioxidative activity. TAK-218 also inhibits dopamine release[1].
CAS Number
156756-10-4
UNSPSC
12352005
Target
Dopamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tak-218.html
Smiles
CC1=C2C(O[C@@](C)(C2)CN3CCC(C4=CC=CC=C4)CC3)=C(C(C)=C1N)C.Cl.Cl
Molecular Formula
C24H34Cl2N2O
Molecular Weight
437.45
References & Citations
[1]Morio MURAKAMI, et al. ESR Study on the Antioxidant Activity of TAK-218 in Biological Model Membranes. Chem. Pharm. Bull. 48 (6) 784-792 (2000) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Tak-218

structure given in first source

CAS Number156756-10-4
PubChem CID131801068
IUPAC Name(2S)-4,6,7-trimethyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine;dihydrochloride
Molecular FormulaC23H32Cl2N2O
Molecular Weight423.4
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity455
SMILES
CC1=C(C2=C(C[C@H](O2)CN3CCC(CC3)C4=CC=CC=C4)C(=C1N)C)C.Cl.Cl
InChI
InChI=1S/C23H30N2O.2ClH/c1-15-16(2)23-21(17(3)22(15)24)13-20(26-23)14-25-11-9-19(10-12-25)18-7-5-4-6-8-18;;/h4-8,19-20H,9-14,24H2,1-3H3;2*1H/t20-;;/m0../s1
InChIKey
LUSQMAWNYXJJSO-FJSYBICCSA-N
Chemical Structure
2D Structure
2D structure of Tak-218
CAS: 156756-10-4
CID: 131801068
Formula: C23H32Cl2N2O
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass422.1891690
Monoisotopic Mass422.1891690
Topological Polar Surface Area38.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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