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P11149

CAT: 0931-T38005-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T38005-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
164724-79-2
Target
Cholinesterase (ChE), Others
Related Pathways
Others, Neuroscience
Bioactivity
P11149, a derivative of Galanthamine, acts as a competitive, orally active, and selective AChE inhibitor with the ability to weakly penetrate the blood-brain barrier (BBB) . It demonstrates selective inhibition, exhibiting an IC50 of 1.3 μM for rat BChE/AChE, and shows central cholinergic activity, behavioral efficacy, and safety. P11149 is utilized in Alzheimer's disease research[1].
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Cl.CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OC(=O)C12CC3CC(CC(C3)C1)C2
Molecular Formula
C27H34ClNO4
Molecular Weight
472.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 9912659
CAS Number164724-79-2
PubChem CID9912659
IUPAC Name[(1S,12S,14R)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl] adamantane-1-carboxylate;hydrochloride
Molecular FormulaC27H34ClNO4
Molecular Weight472.0
Topological Polar Surface Area59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity783
SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC(=O)C56CC7CC(C5)CC(C7)C6)O.Cl
InChI
InChI=1S/C27H33NO4.ClH/c1-28-7-6-27-5-4-20(29)11-22(27)32-24-21(3-2-19(15-28)23(24)27)31-25(30)26-12-16-8-17(13-26)10-18(9-16)14-26;/h2-5,16-18,20,22,29H,6-15H2,1H3;1H/t16?,17?,18?,20-,22-,26?,27-;/m0./s1
InChIKey
NXIVVAIJLAXRRL-COWQPDHPSA-N
Chemical Structure
2D Structure
2D structure of CID 9912659
CAS: 164724-79-2
CID: 9912659
Formula: C27H34ClNO4
MW: 472.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass471.2176363
Monoisotopic Mass471.2176363
Topological Polar Surface Area59 Ų
Heavy Atom Count33
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8473-10P11149

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