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ML352

CAT: 0013-GTR19201630-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201630-01Size:2 mg
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Description
ML352 is a potent and selective small molecule inhibitor of the presynaptic choline transporter (CHT), acting via a non-competitive mechanism to block choline uptake. It is a valuable research tool for investigating cholinergic neurotransmission, synaptic vesicle dynamics, and has been utilized in both in vitro and in vivo models of neurological function and disease.
CAS Number
1649450-12-3
Product Name Alternative
ML 352, ML352, ML-352, Presynaptic choline transporter
Field of Research
Neuroscience
Purity
99.15% (May vary between batches)
Solubility
DMSO:150 mg/mL (387.13 mM)
Smiles
O=C (NCC=1ON=C (C1) C (C) C) C2=CC=C (OC) C (OC3CCN (C) CC3) =C2
Molecular Formula
C21H29N3O4
Molecular Weight
387.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide

inhibits the presynaptic choline transporter; structure in first source

CAS Number1649450-12-3
PubChem CID70679283
IUPAC Name4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
Molecular FormulaC21H29N3O4
Molecular Weight387.5
XLogP2.9
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity496
SMILES
CC(C)C1=NOC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C
InChI
InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
InChIKey
WBLVOWHFRUAMCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
CAS: 1649450-12-3
CID: 70679283
Formula: C21H29N3O4
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass387.21580641
Monoisotopic Mass387.21580641
Topological Polar Surface Area76.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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