Carbenoxolone Disodium - ≥98% , CAS No.7421-40-1

CAS: 7421-40-1 Cat. No.: C134840 Peso molecular: 614.72 Número EC: 231-044-0 PubChem CID: 636402

GRADE & PURITY ≥98%

Synonyms

UNII-F1MP7242Z5 | CARBENOXOLONE SODIUM | CARBENOXOLONE SODIUM [WHO-DD] | Prestwick_19 | OLEAN-12-EN-29-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-11-OXO, DISODIUM SALT, (3.BETA.,20.BETA.)- | Bioplex | Carbenoxolone, disodium salt | Berkobiogastrone | Carbenoxol

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

Carbenoxolone is anti-inflammatory. It is often used as a gap junction inhibitor in neuroscience research. Carbenoxolone is also an inhibitor of the steroid dehydrogenase enzymes 11 β-hydroxysteroid dehydrogenase (human) and 3α, 20 β-hydroxysteroid dehydrogenase (bacterial). It is used for the treatment of digestive tract ulcers, especially in the stomach. Used in the treatment of peptic, mainly gastric, ulcers. It is often used as a gap junction inhibitor in neuroscience research.

Specifications

Sinónimos

UNII-F1MP7242Z5 | CARBENOXOLONE SODIUM | CARBENOXOLONE SODIUM [WHO-DD] | Prestwick_19 | OLEAN-12-EN-29-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-11-OXO, DISODIUM SALT, (3.BETA., 20.BETA.)- | Bioplex | Carbenoxolone, disodium salt | Berkobiogastrone | Carbenoxol

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Glucocorticoid that inhibits 11β-hydroxysteroid dehydrogenase (11-HSD) and blocks gap junction communication.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759612
• Sonrisas canónicas: CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
• IUPAC Name: disodium;(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
• InChIKey: BQENDLAVTKRQMS-SBBGFIFASA-L
• INCHI: 1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
• Isómeros SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]
• WGK Alemania: 3
• RTECS: RK0250000
• PubChem CID: 636402
• Peso molecular: 614.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Cyclohexenones Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Cyclohexenone - Fatty acyl - Carboxylic acid ester - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 61.47, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 614.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 614.32 Da
• Monoisotopic Mass: 614.32 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 3

XLogP3