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MedKoo Cat#: 526994 | Name: AB-001

Description:

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

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

AB-001
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: 349.52

Elemental Analysis: C, 82.47; H, 8.94; N, 4.01; O, 4.58

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 349.52 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
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.