AB-001

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

MedKoo CAT#: 526994

CAS#: 1345973-49-0

Description: AB-001 is a cannibimimetic. It is a CB (cannabinoid) receptor ligand that governs the cannabimimetic potency. It is derived from adamantane and is less potent than other ligands which can induce significant hypothermic and bradycardic effects. Its role in binding CB receptors may be useful in therapeutic discovery for relief against MS, particularly when studying selective CB2 agonists. It is also used to treat chronic lower back pain.


Chemical Structure

img
AB-001
CAS# 1345973-49-0

Theoretical Analysis

MedKoo Cat#: 526994
Name: AB-001
CAS#: 1345973-49-0
Chemical Formula: C24H31NO
Exact Mass: 349.2406
Molecular Weight: 349.518
Elemental Analysis: C, 82.47; H, 8.94; N, 4.01; O, 4.58

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Related CAS #: 1430634-79-9 (AB-001)   1345973-49-0 (AB-002)  

Synonym: AB-001; AB 001; AB001.

IUPAC/Chemical Name: 1-Pentyl-3-(1-adamantoyl)indole

InChi Key: SHWDYCMMUPPWQM-YGMNDUCWSA-N

InChi Code: InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3/t17-,18+,19-,24?

SMILES Code: O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C34C[C@@H]5C[C@H](C4)C[C@@H](C5)C3

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: >2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 349.518 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.

Recalculate based on batch purity %
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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Ashino T, Hakukawa K, Itoh Y, Numazawa S. Inhibitory effect of synthetic cannabinoids on CYP1A activity in mouse liver microsomes. J Toxicol Sci. 2014;39(6):815-20. PubMed PMID: 25374372.

2: Banister SD, Wilkinson SM, Longworth M, Stuart J, Apetz N, English K, Brooker L, Goebel C, Hibbs DE, Glass M, Connor M, McGregor IS, Kassiou M. The synthesis and pharmacological evaluation of adamantane-derived indoles: cannabimimetic drugs of abuse. ACS Chem Neurosci. 2013 Jul 17;4(7):1081-92. doi: 10.1021/cn400035r. PubMed PMID: 23551277; PubMed Central PMCID: PMC3715837.

3: Uchiyama N, Kawamura M, Kikura-Hanajiri R, Goda Y. URB-754: a new class of designer drug and 12 synthetic cannabinoids detected in illegal products. Forensic Sci Int. 2013 Apr 10;227(1-3):21-32. doi: 10.1016/j.forsciint.2012.08.047. PubMed PMID: 23063179.

4: Grigoryev A, Kavanagh P, Melnik A. The detection of the urinary metabolites of 3-[(adamantan-1-yl)carbonyl]-1-pentylindole (AB-001), a novel cannabimimetic, by gas chromatography-mass spectrometry. Drug Test Anal. 2012 Jun;4(6):519-24. doi: 10.1002/dta.350. PubMed PMID: 22102533.

5: Shi Y, Duan YH, Ji YY, Wang ZL, Wu YR, Gunosewoyo H, Xie XY, Chen JZ, Yang F, Li J, Tang J, Xie X, Yu LF. Amidoalkylindoles as Potent and Selective Cannabinoid Type 2 Receptor Agonists with in Vivo Efficacy in a Mouse Model of Multiple Sclerosis. J Med Chem. 2017 Aug 3. doi: 10.1021/acs.jmedchem.7b00724. [Epub ahead of print] PubMed PMID: 28726401.