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MedKoo Cat#: 208120 | Name: AR-A000002

Description:

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

AR-A000002 is a novel 5-hydroxytryptamine(1B) autoreceptor antagonist.

Chemical Structure

AR-A000002
CAS#220051-79-6

Theoretical Analysis

MedKoo Cat#: 208120

Name: AR-A000002

CAS#: 220051-79-6

Chemical Formula: C27H36N4O2

Exact Mass: 448.2838

Molecular Weight: 448.61

Elemental Analysis: C, 72.29; H, 8.09; N, 12.49; O, 7.13

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 #
No Data
Synonym
AR-A000002; ARA000002; AR A000002
IUPAC/Chemical Name
(R)-N-(5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-morpholinobenzamide
InChi Key
IHDRUIHIJWCTIY-JOCHJYFZSA-N
InChi Code
InChI=1S/C27H36N4O2/c1-20-3-10-26(31-13-11-29(2)12-14-31)25-19-22(6-9-24(20)25)28-27(32)21-4-7-23(8-5-21)30-15-17-33-18-16-30/h3-5,7-8,10,22H,6,9,11-19H2,1-2H3,(H,28,32)/t22-/m1/s1
SMILES Code
O=C(N[C@H]1CC(C(N2CCN(C)CC2)=CC=C3C)=C3CC1)C(C=C4)=CC=C4N5CCOCC5
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 448.61 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: Ahlgren C, Eriksson A, Tellefors P, Ross SB, Stenfors C, Malmberg A. In vitro characterization of AR-A000002, a novel 5-hydroxytryptamine(1B) autoreceptor antagonist. Eur J Pharmacol. 2004 Sep 19;499(1-2):67-75. doi: 10.1016/j.ejphar.2004.07.067. PMID: 15363952. 2: Hudzik TJ, Yanek M, Porrey T, Evenden J, Paronis C, Mastrangelo M, Ryan C, Ross S, Stenfors C. Behavioral pharmacology of AR-A000002, a novel, selective 5-hydroxytryptamine(1B) antagonist. J Pharmacol Exp Ther. 2003 Mar;304(3):1072-84. doi: 10.1124/jpet.102.045468. PMID: 12604684. 3: Stenfors C, Hallerbäck T, Larsson LG, Wallsten C, Ross SB. Pharmacology of a novel selective 5-hydroxytryptamine1B receptor antagonist, AR-A000002. Naunyn Schmiedebergs Arch Pharmacol. 2004 Mar;369(3):330-7. doi: 10.1007/s00210-004-0866-0. Epub 2004 Feb 3. PMID: 14758468. 4: Lindberg A, Nag S, Schou M, Arakawa R, Nogami T, Moein MM, Elmore CS, Pike VW, Halldin C. Development of a 18F-labeled PET radioligand for imaging 5-HT1B receptors: [18F]AZ10419096. Nucl Med Biol. 2019 Nov-Dec;78-79:11-16. doi: 10.1016/j.nucmedbio.2019.10.003. Epub 2019 Oct 22. PMID: 31678782. 5: Lindberg A, Lu S, Nag S, Schou M, Liow JS, Zoghbi SS, Frankland MP, Gladding RL, Morse CL, Takano A, Amini N, Elmore CS, Lee YS, Innis RB, Halldin C, Pike VW. Synthesis and evaluation of two new candidate high-affinity full agonist PET radioligands for imaging 5-HT1B receptors. Nucl Med Biol. 2019 Mar;70:1-13. doi: 10.1016/j.nucmedbio.2019.01.005. Epub 2019 Jan 26. PMID: 30811975; PMCID: PMC6591083. 6: Stenfors C, Ahlgren C, Yu H, Wedén M, Larsson LG, Ross SB. Effects of long- term administration of the 5-hydroxytryptamine1B receptor antagonist AR-A000002 to guinea pigs. Psychopharmacology (Berl). 2004 Mar;172(3):333-40. doi: 10.1007/s00213-003-1667-8. Epub 2003 Dec 2. PMID: 14652708. 7: Maier DL, Sobotka-Briner C, Ding M, Powell ME, Jiang Q, Hill G, Heys JR, Elmore CS, Pierson ME, Mrzljak L. [N-methyl-3H3]AZ10419369 binding to the 5-HT1B receptor: in vitro characterization and in vivo receptor occupancy. J Pharmacol Exp Ther. 2009 Jul;330(1):342-51. doi: 10.1124/jpet.109.150722. Epub 2009 Apr 28. PMID: 19401496. 8: Pierson ME, Andersson J, Nyberg S, McCarthy DJ, Finnema SJ, Varnäs K, Takano A, Karlsson P, Gulyás B, Medd AM, Lee CM, Powell ME, Heys JR, Potts W, Seneca N, Mrzljak L, Farde L, Halldin C. [11C]AZ10419369: a selective 5-HT1B receptor radioligand suitable for positron emission tomography (PET). Characterization in the primate brain. Neuroimage. 2008 Jul 1;41(3):1075-85. doi: 10.1016/j.neuroimage.2008.02.063. Epub 2008 Mar 14. PMID: 18434202. 9: Lindberg A, Nag S, Schou M, Takano A, Matsumoto J, Amini N, Elmore CS, Farde L, Pike VW, Halldin C. [11C]AZ10419096 - a full antagonist PET radioligand for imaging brain 5-HT1B receptors. Nucl Med Biol. 2017 Nov;54:34-40. doi: 10.1016/j.nucmedbio.2017.07.007. Epub 2017 Jul 21. PMID: 28950161.