Mosapride Citrate - ≥98% , CAS No.112885-42-4

CAS: 112885-42-4 Cat. No.: M129673 Peso molecular: 614.02 Número EC: 601-211-6

GRADE & PURITY ≥98%

Synonyms

AKOS015895400 | DTXCID5026207 | Mosapride citrate - Adooq Bioscience | (+/-)-4-AMINO-5-CHLORO-2-ETHOXY-N-((4-(P-FLUOROBENZYL)-2-MORPHOLINYL)METHYL)BENZAMIDE CITRATE | MOSAPRIDE CITRATE [WHO-DD] | TAK370 | TAK-370 | Mosapride citrate- Bio-X | TAK-370 citra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A selective SR-4 activator and a SR-3 inhibitor.

Specifications

Sinónimos

AKOS015895400 | DTXCID5026207 | Mosapride citrate - Adooq Bioscience | (+/-)-4-AMINO-5-CHLORO-2-ETHOXY-N-((4-(P-FLUOROBENZYL)-2-MORPHOLINYL)METHYL)BENZAMIDE CITRATE | MOSAPRIDE CITRATE [WHO-DD] | TAK370 | TAK-370 | Mosapride citrate- Bio-X | TAK-370 citra

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Mosapride citrate is a selective SR-4 agonist and SR-3 antagonist. Increases gastric emptying in rats and stimulates gastric motor activity in conscious dogs.Potent and selective 5-HT 4 agonist. Enhances electrically-evoked ileum contractions (EC 50 = 73

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
• InChIKey: HUZTYZBFZKRPFG-UHFFFAOYSA-N
• INCHI: 1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• Isómeros SMILES: CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• CAS alternativo: 112885-42-4
• Términos de entrada MeSH: 4-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide;AS 4370;AS-4370;mosapride;mosapride citrate;Mosapride UI05MSP015CT
• Peso molecular: 614.02
• Reaxy-Rn: 4288606
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4288606&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Aminophenyl ethers Phenylmethylamines Phenoxy compounds Aniline and substituted anilines Benzylamines Alkyl aryl ethers Aralkylamines Fluorobenzenes Chlorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Aryl fluorides Morpholines Tertiary alcohols Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidic acids Carboxylic acids Dialkyl ethers Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organofluorides Organochlorides
• Molecular Framework: Not available
• Substituents: Aminophenyl ether - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aralkylamine - Chlorobenzene - Morpholine - Oxazinane - Alpha-hydroxy acid - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl fluoride - Hydroxy acid - Aryl chloride - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Primary amine - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl 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

Objetivos asociados (humanos)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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HepG2 (196354 Activities)

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HNF4A Tchem Hepatocyte nuclear factor 4-alpha (301 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PLIN1 Tbio Perilipin-1 (234 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Canis familiaris (36305 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

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Htr2b Serotonin 2 (5-HT2) receptor (2078 Activities)

Discover Target: Htr2b

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Htr1b Serotonin 1 (5-HT1) receptor (408 Activities)

Discover Target: Htr1b

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (100 mM), and ethanol (10 mM).
• Peso molecular: 614.000 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 613.184 Da
• Monoisotopic Mass: 613.184 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 749.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3