Mecarbinato - ≥99% , CAS No.15574-49-9

CAS: 15574-49-9 Cat. No.: M129363 Formula: C₁₃H₁₅NO₃ Peso molecolare: 233.26 Numero EC: 605-026-1

GRADE & PURITY ≥99%

Synonyms

SW219644-1 | 1,2-Dimethyl-5-hydroxyindole-3-Carboxylate Ethyl | 1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester | 5-Hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester | Dimecarbin;Dimecarbine;Dimekarbin | Oprea1_434116 | STK140169

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

l'arbinate è un intermedio chimico dell'arbidol cloridrato.

Specifications

Sinonimi

SW219644-1 | 1,2-Dimethyl-5-hydroxyindole-3-Carboxylate Ethyl | 1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester | 5-Hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester | Dimecarbin;Dimecarbine;Dimekarbin | Oprea1_434116 | STK140169

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488190758
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190758
• Sorrisi canonici: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C
• IUPAC Name: ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
• InChIKey: YTBNTDMBGXAOCG-UHFFFAOYSA-N
• INCHI: 1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
• Isomeri SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C
• RTECS: NL6003600
• Peso molecolare: 233.26
• Reaxy-Rn: 193275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=193275&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: N-alkylindoles Hydroxyindoles Indoles Pyrrole carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids N-methylpyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Hydroxyindole - N-alkylindole - Indole - Pyrrole-3-carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - N-methylpyrrole - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO 47 mg/mL (201 mM) ; Water <1 mg/mL (<1 mM) ; Ethanol <1 mg/mL (<1 mM)
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 212 °C
• Peso molecolare: 233.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.105 Da
• Monoisotopic Mass: 233.105 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 15574-49-9, the molecular formula is C13H15NO3, and the molecular weight is 233.26 g/mol. InChIKey YTBNTDMBGXAOCG-UHFFFAOYSA-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.