CUMI-101 | CAS#179756-61-7

MedKoo Cat#: 521431 | Name: CUMI-101

Description:

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

CUMI-101 is a 5-HT1A receptor agonist.

Chemical Structure

CUMI-101

CAS#179756-61-7

Theoretical Analysis

MedKoo Cat#: 521431

Name: CUMI-101

CAS#: 179756-61-7

Chemical Formula: C19H27N5O3

Exact Mass: 373.2100

Molecular Weight: 373.46

Elemental Analysis: C, 61.11; H, 7.29; N, 18.75; O, 12.85

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

CUMI-101; CUMI 101; CUMI101;

IUPAC/Chemical Name

2-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione

InChi Key

MEKSQRMXWZHFIP-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3

SMILES Code

O=C(N1C)N(CCCCN2CCN(C3=CC=CC=C3OC)CC2)N=CC1=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 373.46 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

1: Selvaraj S, Walker C, Arnone D, Cao B, Faulkner P, Cowen PJ, Roiser JP, Howes O. Effect of Citalopram on Emotion Processing in Humans: A Combined 5-HT(1A) [(11)C]CUMI-101 PET and Functional MRI Study. Neuropsychopharmacology. 2017 Aug 4. doi: 10.1038/npp.2017.166. [Epub ahead of print] PubMed PMID: 28776580; PubMed Central PMCID: PMC5693328. 2: Zanderigo F, Mann JJ, Ogden RT. A hybrid deconvolution approach for estimation of in vivo non-displaceable binding for brain PET targets without a reference region. PLoS One. 2017 May 1;12(5):e0176636. doi: 10.1371/journal.pone.0176636. eCollection 2017. PubMed PMID: 28459878; PubMed Central PMCID: PMC5411064. 3: Ganz M, Feng L, Hansen HD, Beliveau V, Svarer C, Knudsen GM, Greve DN. Cerebellar heterogeneity and its impact on PET data quantification of 5-HT receptor radioligands. J Cereb Blood Flow Metab. 2017 Sep;37(9):3243-3252. doi: 10.1177/0271678X16686092. Epub 2017 Jan 11. PubMed PMID: 28075185; PubMed Central PMCID: PMC5584698. 4: Schain M, Zanderigo F, Mann JJ, Ogden RT. Estimation of the binding potential BP(ND) without a reference region or blood samples for brain PET studies. Neuroimage. 2017 Feb 1;146:121-131. doi: 10.1016/j.neuroimage.2016.11.035. Epub 2016 Nov 14. PubMed PMID: 27856316. 5: Shrestha SS, Liow JS, Jenko K, Ikawa M, Zoghbi SS, Innis RB. The 5-HT1A Receptor PET Radioligand 11C-CUMI-101 Has Significant Binding to α1-Adrenoceptors in Human Cerebellum, Limiting Its Use as a Reference Region. J Nucl Med. 2016 Dec;57(12):1945-1948. Epub 2016 Sep 1. PubMed PMID: 27587705; PubMed Central PMCID: PMC5126696. 6: Tyacke RJ, Nutt DJ. Optimising PET approaches to measuring 5-HT release in human brain. Synapse. 2015 Oct;69(10):505-11. doi: 10.1002/syn.21835. Epub 2015 Jul 14. Review. PubMed PMID: 26089243. 7: Zanderigo F, Parsey RV, Ogden RT. Model-free quantification of dynamic PET data using nonparametric deconvolution. J Cereb Blood Flow Metab. 2015 Aug;35(8):1368-79. doi: 10.1038/jcbfm.2015.65. Epub 2015 Apr 15. PubMed PMID: 25873427; PubMed Central PMCID: PMC4528013. 8: Todd Ogden R, Zanderigo F, Parsey RV. Estimation of in vivo nonspecific binding in positron emission tomography studies without requiring a reference region. Neuroimage. 2015 Mar;108:234-42. doi: 10.1016/j.neuroimage.2014.12.038. Epub 2014 Dec 24. PubMed PMID: 25542534. 9: Zanderigo F, Ogden RT, Parsey RV. Noninvasive blood-free full quantification of positron emission tomography radioligand binding. J Cereb Blood Flow Metab. 2015 Jan;35(1):148-56. doi: 10.1038/jcbfm.2014.191. Epub 2014 Nov 5. PubMed PMID: 25370860; PubMed Central PMCID: PMC4294408. 10: Selvaraj S, Mouchlianitis E, Faulkner P, Turkheimer F, Cowen PJ, Roiser JP, Howes O. Presynaptic Serotoninergic Regulation of Emotional Processing: A Multimodal Brain Imaging Study. Biol Psychiatry. 2015 Oct 15;78(8):563-571. doi: 10.1016/j.biopsych.2014.04.011. Epub 2014 May 1. PubMed PMID: 24882568; PubMed Central PMCID: PMC5322825. 11: Shrestha SS, Liow JS, Lu S, Jenko K, Gladding RL, Svenningsson P, Morse CL, Zoghbi SS, Pike VW, Innis RB. (11)C-CUMI-101, a PET radioligand, behaves as a serotonin 1A receptor antagonist and also binds to α(1) adrenoceptors in brain. J Nucl Med. 2014 Jan;55(1):141-6. doi: 10.2967/jnumed.113.125831. PubMed PMID: 24385311; PubMed Central PMCID: PMC4247002. 12: Majo VJ, Milak MS, Prabhakaran J, Mali P, Savenkova L, Simpson NR, Mann JJ, Parsey RV, Kumar JS. Synthesis and in vivo evaluation of [(18)F]2-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-tri azine-3,5(2H,4H)-dione ([(18)F]FECUMI-101) as an imaging probe for 5-HT1A receptor agonist in nonhuman primates. Bioorg Med Chem. 2013 Sep 1;21(17):5598-604. doi: 10.1016/j.bmc.2013.05.050. Epub 2013 Jun 12. PubMed PMID: 23816046; PubMed Central PMCID: PMC3858174. 13: Kumar JS, Parsey RV, Kassir SA, Majo VJ, Milak MS, Prabhakaran J, Simpson NR, Underwood MD, Mann JJ, Arango V. Autoradiographic evaluation of [3H]CUMI-101, a novel, selective 5-HT1AR ligand in human and baboon brain. Brain Res. 2013 Apr 24;1507:11-8. doi: 10.1016/j.brainres.2013.02.035. Epub 2013 Feb 27. PubMed PMID: 23454434; PubMed Central PMCID: PMC4169296. 14: Hesselgrave N, Parsey RV. Imaging the serotonin 1A receptor using [11C]WAY100635 in healthy controls and major depression. Philos Trans R Soc Lond B Biol Sci. 2013 Feb 25;368(1615):20120004. doi: 10.1098/rstb.2012.0004. Print 2013. Review. PubMed PMID: 23440462; PubMed Central PMCID: PMC3638381. 15: Leung K. 3-Chloro-4-[(18)F]fluorophenyl-(4-fluoro-4-[[(5-methyl-pyrimidin-2-ylmethyl)-amin o]-methyl]-piperidin-1-yl)methanone (F15599). 2012 Jun 20 [updated 2012 Oct 11]. Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004-2013. Available from http://www.ncbi.nlm.nih.gov/books/NBK109189/ PubMed PMID: 23077753. 16: Leung K. 3-Chloro-4-[(18)F]fluorophenyl-(4-fluoro-4-[[((5-methyl-4-methylamino-pyridin-2-y lmethyl)-amino]-methyl]-piperidin-1-yl)methanone (F13714). 2012 Jun 24 [updated 2012 Oct 11]. Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004-2013. Available from http://www.ncbi.nlm.nih.gov/books/NBK109188/ PubMed PMID: 23077752. 17: Kumar JS, Milak MS, Majo VJ, Prabhakaran J, Mali P, Savenkova L, Mann JJ, Parsey RV. Comparison of high and low affinity serotonin 1A receptors by PET in vivo in nonhuman primates. J Pharmacol Sci. 2012;120(3):254-7. Epub 2012 Oct 16. PubMed PMID: 23076129. 18: Pinborg LH, Feng L, Haahr ME, Gillings N, Dyssegaard A, Madsen J, Svarer C, Yndgaard S, Kjaer TW, Parsey RV, Hansen HD, Ettrup A, Paulson OB, Knudsen GM. No change in [¹¹C]CUMI-101 binding to 5-HT(1A) receptors after intravenous citalopram in human. Synapse. 2012 Oct;66(10):880-4. doi: 10.1002/syn.21579. Epub 2012 Jul 20. PubMed PMID: 22730164. 19: Leung K. [O-methyl-(11)C]2-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-tri azine-3,5(2H,4H)dione. 2007 Sep 4 [updated 2012 Jun 20]. Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004-2013. Available from http://www.ncbi.nlm.nih.gov/books/NBK23229/ PubMed PMID: 20641432. 20: Selvaraj S, Turkheimer F, Rosso L, Faulkner P, Mouchlianitis E, Roiser JP, McGuire P, Cowen PJ, Howes O. Measuring endogenous changes in serotonergic neurotransmission in humans: a [11C]CUMI-101 PET challenge study. Mol Psychiatry. 2012 Dec;17(12):1254-60. doi: 10.1038/mp.2012.78. Epub 2012 Jun 5. PubMed PMID: 22665264.