CAS 864821-90-9

5-[[[(2S)-2-Amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid

Description:

The chemical substance with the name "5-[[[(2S)-2-Amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid" and CAS number "864821-90-9" is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as amino, carbonyl, and methoxy groups. This compound is likely to exhibit properties typical of amino acids and related derivatives, including potential solubility in polar solvents due to the presence of amino and carboxylic acid functionalities. Its structure suggests it may have biological activity, possibly as a pharmaceutical agent, given the presence of imidazole and phenyl groups, which are often associated with drug-like properties. The compound's molecular weight, stability, and reactivity would depend on its specific arrangement of atoms and functional groups, influencing its interactions in biological systems and its potential applications in medicinal chemistry. Further studies would be necessary to elucidate its precise characteristics and biological effects.

Formula: C₃₂H₃₅N₅O₅

InChI: InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1

InChI key: InChIKey=QFNHIDANIVGXPE-FNZWTVRRSA-N

SMILES: N([C@@H](C)C=1NC(=CN1)C2=CC=CC=C2)(CC3=CC(C(O)=O)=C(OC)C=C3)C([C@H](CC4=C(C)C=C(C(N)=O)C=C4C)N)=O

Synonyms:

• Eluxadoline
• 5-[[[(2S)-2-Amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
• Benzoic acid, 5-[[[(2S)-2-amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-
• JNJ 27018966
• Benzoic acid, 5-[[[(2S)-2-amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-

Eluxadoline

CAS: 864821-90-9

Formula: C₃₂H₃₅N₅O₅

Molecular weight: 569.66

Ref: 4Z-E-087001

Eluxadoline-13C-d3

CAS: 864821-90-9

Formula: C₃₂H₃₂N₅O₅D₃

Molecular weight: 573.67

Ref: 4Z-E-087003

Eluxadoline

Controlled Product

CAS: 864821-90-9

Formula: C₃₂H₃₅N₅O₅

Color and Shape: Off-White

Molecular weight: 569.65

Ref: TR-E508195

Eluxadoline-glucuronide

Controlled Product

CAS: 864821-90-9

Eluxadoline-glucuronide is a custom synthesis that has been modified by fluorination, methylation, and monosaccharide modification. It has a CAS No., which is 637259-71-2. Eluxadoline-glucuronide is an oligosaccharide with glycosylation and sugar composition. The carbohydrate complex is composed of saccharides and polysaccharides. This product can be used in the production of pharmaceuticals, agrochemicals, or other chemical substances.

Purity: Min. 95%

Ref: 3D-ME146113

Eluxadoline-13C,d3 Dihydrochloride

Controlled Product

CAS: 864821-90-9, 864825-13-8

Applications Eluxadoline-13C,d3 Dihydrochloride is labelled Eluxadoline Dihydrochloride (E508200) which is a mixed μ opioid receptor agonist / δ opioid receptor antagonist used in the treatment and modulation of gastrointestinal function. Used in patients with diarrhea-predominant IBS.
References Wade, P. et al.: Brit. J. Pharm., 167, 1111 (2012); Breslin, H. et al.: Bioorg. Med. Chem. Lett., 22, 4869 (2012)

Formula: C₃₁CH₃₄D₃Cl₂N₅O₅

Color and Shape: Neat

Molecular weight: 573.662

Ref: TR-E508203

Eluxadoline deuterated

Controlled Product

CAS: 864821-90-9

Eluxadoline is a drug that has been developed to treat the symptoms of irritable bowel syndrome with constipation. This medicine is a selective agonist at opioid receptors, which are found in the bowel and the central nervous system. Eluxadoline has demonstrated efficacy in patients with inflammatory bowel diseases, including ulcerative colitis, Crohn's disease, and pouchitis. The drug is not metabolized by cytochrome P450 enzymes and does not inhibit or induce these enzymes. It also does not bind to serum proteins such as albumin or α1-acid glycoprotein. Side effects can include nausea, dizziness, headache, and diarrhea.

Formula: C₃₂H₃₅N₅O₅

Purity: Min. 95%

Molecular weight: 569.65 g/mol

Ref: 3D-FE146108