KAB-18 HCl | CAS#unknown | Hα2 β4 nChR nicotinic cholinergic receptor NAM

MedKoo Cat#: 463523 | Name: KAB-18 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

KAB-18 is a negative allosteric modulator (NAM) at Hα2 β4 nChR nicotinic cholinergic receptors.

Chemical Structure

KAB-18 HCl

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463523

Name: KAB-18 HCl

CAS#: unknown

Chemical Formula: C28H32ClNO2

Exact Mass: 449.2122

Molecular Weight: 450.02

Elemental Analysis: C, 74.73; H, 7.17; Cl, 7.88; N, 3.11; O, 7.11

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Related CAS #

No Data

Synonym

KAB-18 HCl; KAB18 HCl; KAB 18 HCl;

IUPAC/Chemical Name

(1-(3-phenylpropyl)piperidin-3-yl)methyl [1,1'-biphenyl]-2-carboxylate hydrochloride

InChi Key

VBAFEOBDSOCKKO-UHFFFAOYSA-N

InChi Code

InChI=1S/C28H31NO2.ClH/c30-28(27-18-8-7-17-26(27)25-15-5-2-6-16-25)31-22-24-14-10-20-29(21-24)19-9-13-23-11-3-1-4-12-23;/h1-8,11-12,15-18,24H,9-10,13-14,19-22H2;1H

SMILES Code

O=C(OCC1CN(CCCC2=CC=CC=C2)CCC1)C3=C(C=CC=C3)C4=CC=CC=C4.Cl

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

KAB-18 is a negative allosteric modulator (NAM) at Hα2 β4 nChR nicotinic cholinergic receptors.

In vitro activity:

The T58K mutation resulted in an eight-fold decrease in the potency of KAB-18, a compound that exhibits preferential antagonism for human α4β2 over α3β4 nAChRs, while the F118L mutation resulted in a loss of inhibitory activity for KAB-18 at concentrations up to 100 µM. These results demonstrate the selectivity of KAB-18 for human α4β2 nAChRs and validate the methods used for identifying the nAChR modulator binding site. Reference: PLoS One. 2011;6(9):e24949. https://pubmed.ncbi.nlm.nih.gov/21949802/

In vivo activity:

TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 450.02 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Pavlovicz RE, Henderson BJ, Bonnell AB, Boyd RT, McKay DB, Li C. Identification of a negative allosteric site on human α4β2 and α3β4 neuronal nicotinic acetylcholine receptors. PLoS One. 2011;6(9):e24949. doi: 10.1371/journal.pone.0024949. Epub 2011 Sep 15. PMID: 21949802; PMCID: PMC3174232.

In vitro protocol:

In vivo protocol:

TBD