Carbenoxolone disodium

Category	Orthopoxvirus
CAS	7421-40-1
Description	The sodium salt form of Carbenoxolone, which has been found to be an anti-inflammatory glucocorticoid and could inhibit 11β-hydroxysteroid dehydrogenase.

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Product Information

Synonyms	(3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid disodium
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
Molecular Weight	614.72
Molecular Formula	C34H48Na2O7
Canonical SMILES	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+]
InChI	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
InChIKey	BQENDLAVTKRQMS-UHFFFAOYSA-L
Boiling Point	687.4ºC at 760 mmHg
Flash Point	211.6°C
Purity	≥98% by HPLC
Solubility	In Vitro: H2O : 50 mg/mL(81.34 mM;Need ultrasonic) DMSO : 16.67 mg/mL(27.12 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: 1.67 mg/mL (2.72 mM); Clear solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 1.67 mg/mL (2.72 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 0.93 mg/mL (1.51 mM); Clear solution
Appearance	White Solid
Application	Anti-Ulcer Agents
Storage	2-8°C
Assay	0.98
Complexity	1190
Exact Mass	614.31954243
In Vitro	Carbenoxolone disodium (6-150 μM; pre-treatment 1 hour) inhibits Vaccinia virus (VACV) replication in a gap junction-independent in HaCaT cells, and it has toxicity effects on VACV-A5L-EGFP infected cells at 48. Carbenoxolone (30 μM; pre-treatment 1 hour) does not upregulate PP2A expression, but induces the late protein A27 expression in hacat cells.
In Vivo	Carbenoxolone (intraperitoneal injection; 100, 200 and 300 mg/kg; 30, 60 and 60 min before Diazepam) does not induce a muscle relaxant activity and shows muscle relaxant activity compared to normal saline, and this effect was more than diazepam in the traction test. Carbenoxolone (intraperitoneal injection; 100, 200 and 300 mg/kg; 30, 60 and 60 min before Pentylenetetrazole) significantly increases sleeping time and decreases latency in mice as a dose-dependent manner in Pentylenetetrazole (PTZ) Seizure model. The ED50 value is 83.3 mg/kg.
PSA	123.63000
Target	Gap JunIC50: human 11β-HSD; bacterial 3α, 20β-HSD; gap junction; Vaccinia virus