CAS 522-23-6

Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2)

Description:

The chemical substance known as "Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2)" with CAS number 522-23-6 is a complex organic compound characterized by its multi-functional groups. It features a benzoic acid moiety with three methoxy substituents at the 3, 4, and 5 positions, which enhances its solubility and reactivity. The presence of a piperazine ring indicates potential biological activity, often associated with pharmacological properties. The compound also contains a phenothiazine derivative, which is known for its use in antipsychotic medications, suggesting that this substance may have therapeutic applications. The (2E)-2-butenedioate component indicates the presence of a double bond and a dicarboxylic acid structure, which can influence the compound's reactivity and stability. Overall, this substance is likely to exhibit interesting chemical behavior and potential biological activity due to its diverse structural features.

Formula: C₃₉H₄₄ClN₃O₁₃S

InChI: InChI=1/C31H36ClN3O5S.2C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChI key: InChIKey=RCJSPEGWDNYZCS-WLHGVMLRSA-N

SMILES: C(CCN1CCN(CCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1)N3C=4C(SC=5C3=CC=CC5)=CC=C(Cl)C4.C(=C/C(O)=O)\C(O)=O

Synonyms:

• 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate (2E)-but-2-enedioate (1:2)
• Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (E)-2-butenedioate (1:2)
• Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester fumarate (1:2)
• Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, difumarate
• Frenolon
• Methophenazate acid fumarate
• Methophenazine difumarate
• Metofenazate difumarate
• Metofenazate fumarate
• Phrenolon
• Phrenolone

Metofenazate Fumarate

Controlled Product

CAS: 522-23-6

Applications Metofenazate, is a novel phenothiazine antipsychotic agent. It has also been shown to have MDR1 inhibitory activity, which may serve as a basis of the development of an effective MDR1 inhibitor drug.
References Konya, A., et al.: Biochem. Biophys. Res. Commun., 346, 45 (2006);

Formula: C₃₁H₃₆ClN₃O₅S•xC₄H₄O₄

Color and Shape: Neat

Molecular weight: 598.1511607

Ref: TR-M225805

Metofenazate difumarate

CAS: 522-23-6

Metofenazate difumarate is a selective calmodulin inhibitor.

Formula: C₃₉H₄₄ClN₃O₁₃S

Color and Shape: Solid

Molecular weight: 830.3

Ref: TM-T69156