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Ladostigil hemitartrate

CAT: 0931-T39513-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T39513-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
209394-46-7
Target
Others, Monoamine Oxidase, Cholinesterase (ChE)
Related Pathways
Others, Neuroscience
Bioactivity
Ladostigil hemitartrate (TV-3326) is a dual inhibitor of cholinesterase and brain-selective monoamine oxidase (MAO), with IC50 values of 37.1 μM for MAO-B and 31.8 μM for AChE. Possessing neuroprotective, antioxidant, and anti-inflammatory properties, it is commonly used in research related to depression and Alzheimer's disease.
Smiles
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1
Molecular Formula
C20H26N2O8
Molecular Weight
422.434
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ladostigil Tartrate

See also: Ladostigil (has active moiety).

CAS Number209394-46-7
PubChem CID11607225
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;bis([(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate)
Molecular FormulaC36H46N4O10
Molecular Weight694.8
Topological Polar Surface Area198
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count50
Formal Charge0
Complexity521
SMILES
CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1.CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C16H20N2O2.C4H6O6/c2*1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2;5-1(3(7)8)2(6)4(9)10/h2*1,6,8,11,15,17H,5,7,9-10H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*15-;1-,2-/m111/s1
InChIKey
PRLVBVAJMQZMJN-OGOSNNLPSA-N
Chemical Structure
2D Structure
2D structure of Ladostigil Tartrate
CAS: 209394-46-7
CID: 11607225
Formula: C36H46N4O10
MW: 694.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass694.32139368
Monoisotopic Mass694.32139368
Topological Polar Surface Area198 Ų
Heavy Atom Count50
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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