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R116031

NK-1 Receptor Antagonist

R116031 is a selective Neurokinin-1 (NK-1) receptor antagonist, demonstrating a Ki value of 0.45 nM against the human NK-1 receptor. This compound effectively inhibits Substance P-induced peripheral responses, such as skin reactions and plasma extravasation in guinea pig models, as well as central effects demonstrated in gerbils. Additionally, R116031, when labeled with 3H, shows significant accumulation in brain regions including the striatum, olfactory tubercle, olfactory bulb, and locus coeruleus, making it suitable for use as a PET ligand in imaging studies.

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Specifications

Manufacturer	Adooq Bioscience
Actions	Antagonist
CAS Number	336884-84-5
Applications	NK-1 Receptor Antagonist
Formula	C₃₅H₃₈F₆N₄O₂
Molecular Weight	660.69
SMILES	O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N2[C@@H](C[C@@H](N3CCN(CC3)CC(NC4=C(C=CC=C4C)C)=O)CC2)CC5=CC=CC=C5

Storage & Solubility

In Vitro Solubility

Reported Solubility

No reported solubility data are available for this product.

Preparing Stock Solutions

Stock preparation is unavailable for this product molecular weight.

Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.

Storage

Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.