Resorcinolnaphthalein - ≥99% , CAS No.41307-63-5

CAS: 41307-63-5 Cat. No.: R649699 Fórmula: C₂₄H₁₄O₅ Peso molecular: 382.36 PubChem CID: 337218

GRAU & PUREZA ≥99%

Synonyms

HY-122445 | 3',6'-Dihydroxyspiro[1H,3H-naphtho[1,8-cd]pyran-1,9'-[9H]xanthen-3-one | MFCD02251771 | SCHEMBL2879706 | 3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one | FTUOFHGOGJGQAB-UHFFFAOYSA-N | Re

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Resorcinolnaphthalein is a specific angiotensin-converting enzyme 2 (ACE2) enhancer and activates ACE2 activity with an EC 50 value of 19.5 μM. Resorcinolnaphthalein can be used for the investigation of hypertension and renal fibrosis

In Vitro

Resorcinolnaphthalein (100 μM) and XNT enhances ACE2 activity in a dose-dependent manner with EC 50 values of 19.5 μM and 20.1 μM, respectively. ACE2 is an effective enzyme in attenuating fibrosis and structural remodeling. Enhancement of ACE2 activity has beneficial effects on the cardiovascular system and protects against hypertension induced pathophysiology. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:EC50: 19.5 μM (ACE2)

Especificações

Sinónimos

HY-122445 | 3',6'-Dihydroxyspiro[1H,3H-naphtho[1,8-cd]pyran-1,9'-[9H]xanthen-3-one | MFCD02251771 | SCHEMBL2879706 | 3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one | FTUOFHGOGJGQAB-UHFFFAOYSA-N | Re

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Resorcinolnaphthalein is a specific angiotensin-converting enzyme 2 (ACE2) enhancer and activates ACE2 activity with an EC 50 value of 19.5 μM. Resorcinolnaphthalein can be used for the investigation of hypertension and renal fibrosis.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

IUPAC Name

3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one

InChIKey

FTUOFHGOGJGQAB-UHFFFAOYSA-N

INCHI

1S/C24H14O5/c25-14-7-9-17-20(11-14)28-21-12-15(26)8-10-18(21)24(17)19-6-2-4-13-3-1-5-16(22(13)19)23(27)29-24/h1-12,25-26H

SMILES isoméricas

C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

CAS alternativo

41307-63-5

PubChem CID

337218

Número NSC

354317

Termos de entrada MeSH

3',6'-dihydroxy-spiro(1H,3H-naphtho(1,8-cd)pyran-1,9'-(9H)xanthen)-3-one;resorcinolnaphthalein

Peso molecular

382.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Naphthalenes 2-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Naphthalene - 2-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 125 mg/mL (326.92 mM; Need ultrasonic)
• Peso molecular: 382.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 382.084 Da
• Monoisotopic Mass: 382.084 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 638.000
• 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