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ML 10302 (hydrochloride)

CAT: 0804-HY-14442-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14442-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML 10302 hydrochloride is a potent and selective 5-HT4 receptor agonist, with an EC50 of 4 nM. ML 10302 hydrochloride displays more than 680-fold selectivity over 5-HT3 receptor in binding assay[1][2].
CAS Number
186826-17-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ml-10302-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(OCCN1CCCCC1)C2=CC(Cl)=C(N)C=C2OC.[H]Cl
Molecular Formula
C15H22Cl2N2O3
Molecular Weight
349.25
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Langlois, M., et al. Design of a potent 5-HT4 receptor agonist with nanomolar affinity. Bioorganic & Medicinal Chemistry Letters. 1994. 4 (12), 1433–1436.|[2]D Yang, et al. New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. J Med Chem. 1997 Feb 14;40 (4) :608-21.|[3]M Cachard-Chastel, et al. 5-HT4 receptor agonists increase sAPPα levels in the cortex and hippocampus of male C57BL/6j mice. Br J Pharmacol. 2007 Apr; 150 (7) : 883–892.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Apolipoprotein D; lactoferrin

Chemical Information

ML 10302 Hydrochloride
CAS Number186826-17-5
PubChem CID56972230
IUPAC Name2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate;hydrochloride
Molecular FormulaC15H22Cl2N2O3
Molecular Weight349.2
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity337
SMILES
COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)N.Cl
InChI
InChI=1S/C15H21ClN2O3.ClH/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18;/h9-10H,2-8,17H2,1H3;1H
InChIKey
HBLRTSYSGOFQCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML 10302 Hydrochloride
CAS: 186826-17-5
CID: 56972230
Formula: C15H22Cl2N2O3
MW: 349.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass348.1007480
Monoisotopic Mass348.1007480
Topological Polar Surface Area64.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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