Remoxipride hydrochloride - ≥98% , CAS No.73220-03-8

CAS: 73220-03-8 Cat. No.: R286769 Molecular Weight: 407.73 PubChem CID: 15565709

GRADE & PURITY ≥98%

Synonyms

(S)-(-)-3-Bromo-N-[(1-ethyl-2-pyrrolidinylmethyl]2,6-dimethoxybenzamide hydrochloride | SCHEMBL122729 | Roxiam | AKOS027323783 | Diacylglycerol(14:0/14:0) | Remoxipride Hydrochloride Anhydrous | SR-01000597869-3 | (-)-Remoxipride Hydrochloride | [1-[3-[2-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(S)-(-)-3-Bromo-N-[(1-ethyl-2-pyrrolidinylmethyl]2, 6-dimethoxybenzamide hydrochloride | SCHEMBL122729 | Roxiam | AKOS027323783 | Diacylglycerol(14:0/14:0) | Remoxipride Hydrochloride Anhydrous | SR-01000597869-3 | (-)-Remoxipride Hydrochloride | [1-[3-[2-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Dopamine D2receptor antagonist showing selectivity over D3and D4receptors (Kivalues are ~ 300, ~ 1600, and ~ 2800 nM for D2, D3and D4receptors respectively). Exhibits antipsychotic activityin vivowith no extrapyramidal side effects. 50-fold more potent th

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767902
• Canonical Smiles: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.Cl
• IUPAC Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydrochloride
• InChIKey: WCPXLMIPGMFZMY-MERQFXBCSA-N
• INCHI: 1S/C16H23BrN2O3.ClH/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H/t11-;/m0./s1
• Isomeric SMILES: CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.Cl
• PubChem CID: 15565709
• Molecular Weight: 407.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides N-alkylpyrrolidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin D(2) dopamine receptor (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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U2OS (164939 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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GMNN Tbio Geminin (128009 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

Discover Target: Gpr119

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 407.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 406.066 Da
• Monoisotopic Mass: 406.066 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3