Dolasetron - ≥98% , CAS No.115956-12-2

CAS: 115956-12-2 Cat. No.: D335819 Formule: C₁₉H₂₀N₂O₃ Poids moléculaire: 324.37

GRADE & PURITY ≥98%

Synonyms

D5820 | DOLASETRON [VANDF] | MDL-73147 | 1H-INDOLE-3-CARBOXYLIC ACID, OCTAHYDRO-3-OXO-2,6-METHANO-2H-QUINOLIZIN-8-YL ESTER, (2.ALPHA.,6.ALPHA.,8.ALPHA.,9A.BETA.)- | AKOS037515834 | AKOS022184758 | AS-74586 | DOLASETRON [HSDB] | SR-05000001488 | BRD-K28029

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Dolasetron is an antiserotonin used as an antiemetic to prevent nausea and vomiting brought on by chemotherapy or general anaesthesia. Dolasetron is an inhibitor of SR-3A.

Specifications

Synonymes

D5820 | DOLASETRON [VANDF] | MDL-73147 | 1H-INDOLE-3-CARBOXYLIC ACID, OCTAHYDRO-3-OXO-2,6-METHANO-2H-QUINOLIZIN-8-YL ESTER, (2.ALPHA.,6.ALPHA.,8.ALPHA.,9A.BETA.)- | AKOS037515834 | AKOS022184758 | AS-74586 | DOLASETRON [HSDB] | SR-05000001488 | BRD-K28029

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Pureté

≥98%

Propriétés du produit

pKa

pKa: 6.22 (Predicted)

Noms et identifiants

Pubchem Sid

504762346

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762346

Sourires canoniques

C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54

IUPAC Name

[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate

InChIKey

UKTAZPQNNNJVKR-AKJUYKBHSA-N

INCHI

1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13+,14?

Isomères SMILES

C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54

RTECS

NL6014644

Poids moléculaire

324.37

Reaxy-Rn

13194555

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13194555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Quinolizidines Indoles Quinuclidones Pyrrole carboxylic acids and derivatives Piperidinones Benzenoids Substituted pyrroles Vinylogous amides Heteroaromatic compounds Ketones Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Quinolizidine - Indole - Quinuclidone - Pyrrole-3-carboxylic acid or derivatives - Quinuclidine - Piperidinone - Piperidine - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Ketone - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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Homo sapiens (32628 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, ethanol, chloroform, DMSO, and methanol.
• Sensibilité: heat sensitive
• Indice de réfraction: n20D1.68 (Predicted)
• Point d'ébullition (°C): 535.1° C
• Point de fusion (°C): 278° C
• Poids moléculaire: 324.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.147 Da
• Monoisotopic Mass: 324.147 Da
• Topological Polar Surface Area: 62.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 535.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 115956-12-2, the molecular formula is C19H20N2O3, and the molecular weight is 324.37 g/mol. InChIKey UKTAZPQNNNJVKR-AKJUYKBHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.