CAS 522664-63-7

Ibodutant

Description:

Ibodutant is a chemical compound classified as a selective neurokinin-2 (NK2) receptor antagonist. It is primarily investigated for its potential therapeutic applications in treating conditions such as irritable bowel syndrome (IBS) and other gastrointestinal disorders. The compound's mechanism of action involves blocking the NK2 receptors, which play a role in regulating gastrointestinal motility and secretion. Ibodutant is characterized by its specific binding affinity to these receptors, which helps modulate the effects of neurokinins, particularly substance P. The compound is typically studied in the context of its pharmacological properties, including its efficacy, safety profile, and potential side effects. As with many investigational drugs, ongoing research aims to better understand its pharmacokinetics, optimal dosing regimens, and long-term effects in human subjects. Overall, ibodutant represents a promising avenue in the development of targeted therapies for gastrointestinal conditions.

Formula: C₃₇H₄₈N₄O₄S

InChI: InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1

InChI key: InChIKey=YQYSVMKCMIUCHY-WJOKGBTCSA-N

SMILES: N(C(=O)C=1SC=2C(C1)=CC=C(C)C2)C3(C(N[C@H](CC4=CC=CC=C4)C(NCC5CCN(CC6CCOCC6)CC5)=O)=O)CCCC3

Synonyms:

• 6-Methyl-N-[1-[[[(1R)-2-oxo-1-(phenylmethyl)-2-[[[1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-piperidinyl]methyl]amino]ethyl]amino]carbonyl]cyclopentyl]benzo[b]thiophene-2-carboxamide
• Benzo[b]thiophene-2-carboxamide, 6-methyl-N-[1-[[[(1R)-2-oxo-1-(phenylmethyl)-2-[[[1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-piperidinyl]methyl]amino]ethyl]amino]carbonyl]cyclopentyl]-
• Ibodutant
• Men-15596

Ibodutant

Controlled Product

CAS: 522664-63-7

Formula: C₃₇H₄₈N₄O₄S

Color and Shape: Neat

Molecular weight: 644.866

Ref: TR-I202440

Ibodutant

CAS: 522664-63-7

Ibodutant is a specific treatment for autoimmune diseases, chronic cough, and symptoms such as wheezing. It has been shown to have an anti-inflammatory effect in the lungs. Ibodutant binds to two receptors, called the alpha-2C adrenergic receptor and the 5HT2A serotonin receptor. It is not currently approved by the FDA for use in humans, but it has been used in clinical studies to treat asthma or chronic obstructive pulmonary disease (COPD). Ibodutant is being investigated as a potential treatment for cancer or Alzheimer's disease.

Formula: C₃₇H₄₈N₄O₄S

Purity: Min. 95%

Molecular weight: 644.9 g/mol

Ref: 3D-XVA66463

Ibodutant

CAS: 522664-63-7

Ibodutant is an effective and selective tachykinin NK2 receptor antagonist (pKi: 10.1).

Formula: C₃₇H₄₈N₄O₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 644.87

Ref: TM-T16039