Ibodutant - CAS 522664-63-7
Catalog number: 522664-63-7
Category: Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C37H48N4O4S
Molecular Weight:
644.87
COA:
Inquire
Targets:
Neurokinin 1 Receptor
Description:
Ibodutant is a tachykinin receptor antagonist. It selectively blocks the tachykinin receptor NK2, with blockade practically complete in nanomolar concentrations. It is a candidate drug for irritable bowel syndrome diarrhea. It was developed by The Menarini Group. It is in the clinical phase III.
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Purity:
98%
Appearance:
Solid powder
Synonyms:
MEN-15596;MEN15596;6-Methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide;(R)-6-methyl-N-(1-((1-oxo-3-phenyl-1-(((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidi
Solubility:
Soluble in DMSO, not in water
Storage:
-20°C Freezer
MSDS:
Inquire
Application:
Ibodutant is a candidate drug for irritable bowel syndrome diarrhea.
Quality Standard:
In-house standard
Quantity:
Milligrams-Grams
Boiling Point:
921.8±65.0 °C | Condition: Press: 760 Torr
Melting Point:
195-196 °C
Density:
1.24±0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
InChIKey:
YQYSVMKCMIUCHY-WJOKGBTCSA-N
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
Canonical SMILES:
CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC5CCN(CC5)CC6CCOCC6
Current Developer:
Ibodutant was developed by The Menarini Group. It is in the clinical phase III.
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