DICL_CP_0317434 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0317434

PubChem CID

219078

Molecular Formula

C₁₃H₁₈N₂O₃

Molecular Weight

250.298 g/mol

Synonyms/Alias

[Lacosamide; 175481-36-4; Erlosamide; Harkoseride; Vimpat; (R)-2-acetamido-N-benzyl-3-methoxypropanamide; SPM 927; SPM-927; ertosamide; (r)-lacosamide 1; harkeroside; UNII-563KS2PQY5; ADD 234037; ADD-...[Lacosamide; 175481-36-4; Erlosamide; Harkoseride; Vimpat; (R)-2-acetamido-N-benzyl-3-methoxypropanamide; SPM 927; SPM-927; ertosamide; (r)-lacosamide 1; harkeroside; UNII-563KS2PQY5; ADD 234037; ADD-234037; (2R)-2-acetamido-N-benzyl-3-methoxypropanamide; MOTPOLY; 563KS2PQY5; DTXSID1057666; Propanamide; 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-; (2R)-; ADD 243037; ADD-243037; (2R)-2-(Acetylamino)-N-benzyl-3-methoxypropanamide; CHEMBL58323; SPM927; DTXCID2031455; ADD243037; Erlosamide [INN]; (+)-(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide; NCGC00253740-01; LACOSAMIDE (MART.); LACOSAMIDE [MART.]; (R)-2-acetamido-N-benzyl-3-methoxypropionamide.; (R)-2-Acetylamino-N-benzyl-3-methoxy-propionamide; Lacosamide [USAN]; LACOSAMIDE (EP MONOGRAPH); LACOSAMIDE [EP MONOGRAPH]; LACOSAMIDE (USP MONOGRAPH); LACOSAMIDE [USP MONOGRAPH]; lacosamidum; Lacosamida; Lacosamide [USAN:INN:BAN]; Lacosamide cv; Lacosamide?; Motpoly XR; SPM-929; Lacosamide racemate; Lacosamide- Bio-X; Vimpat (TN); LACOSAMIDE [MI]; Lacosamide Oral Solution; LACOSAMIDE [INN]; LACOSAMIDE [JAN]; LACOSAMIDE [VANDF]; (R)-N-Benzyl-2-acetamido-3-methoxypropionamide; LACOSAMIDE [USP-RS]; LACOSAMIDE [WHO-DD]; SCHEMBL35330; Lacosamide (JAN/USAN/INN); LACOSAMIDE [EMA EPAR]; GTPL7472; DEA No. 2746; LACOSAMIDE CV (USP-RS); LACOSAMIDE [ORANGE BOOK]; N03AX18; CHEBI:135939; VPPJLAIAVCUEMN-GFCCVEGCSA-N; (2R)-2-(Acetylamino)-3-methoxy-N-(phenylmethyl)propanamide; BCP02197; Tox21_113857; BDBM50300204; AKOS005146274; Lacosamide 1.0 mg/ml in Acetonitrile; CS-0529; DB06218; KS-1227; AC-22750; AM808141; BL164605; HY-13015; A3897; CAS-175481-36-4; N~2~-Acetyl-N-benzyl-O-methyl-D-serinamide; (R)-N-benzyl-2-acetamido-3-methoxypropanamide; D07299; (R)-2-acetamido-N-benzyl-3-methoxypropionamide; (R)-N-benzyl 2-acetamido-3-methoxypropionamide; (R)-N-benzyl 2-acetamido-3-methoxypropionamide;; AB01559947-01; (2R)-2-acetylamino-N-benzyl-3-methoxypropanamide; (R)-2-Acetylamino-N-benzyl-3-methoxypropionamide; AR-270/11402703; Q420077; SR-01000942286; SR-01000942286-1; ()-(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide; (2R)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide; 2-(Acetylamino)-3-methoxy-N-(phenylmethyl)-; (2R)-; LQO]

InChI Key

VPPJLAIAVCUEMN-GFCCVEGCSA-N

InChI

InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(...

IUPAC Name

(2R)-2-acetamido-N-benzyl-3-methoxypropanamide

CAS Number

175481-36-4

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

36 36 0 0 0 0 0 0 0 0999 V2000
-1.6649 -1.9892 -2.5655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3786 -1.4569 -1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5966 -2.086...

Download SDF File (3065 bytes)

Experimental Data

Activity Data

Target Ion Channel

Sodium channel protein type 8 subunit alpha

Uniprot Accession Number

Q9UQD0

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 832700 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.5

Holding Potential

70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/epi.17149

URL

N/A (Not available)

PMID

35037706

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

0.4539

Complexity

67.7694

TPSA (Å²)

67.43

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties