Sumanirole maleate | PNU-95666 | CAS#179386-44-8 | 179386-43-7 | D2 receptor agonist

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

MedKoo CAT#: 326794

CAS#: 179386-44-8 (maleate)

Description: Sumanirole, also known as PNU-95666, is a highly selective D2 receptor full agonist, the first of its kind to be discovered. It was developed for the treatment of Parkinson's disease and restless leg syndrome. While it has never been approved for medical use, it is a highly valuable tool compound for basic research to identify neurobiological mechanisms that are based on a dopamine D2-linked (vs. D1, D3, D4, and D5-linked) mechanism of action.

Chemical Structure

Sumanirole maleate

CAS# 179386-44-8 (maleate)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 326794
Name: Sumanirole maleate
CAS#: 179386-44-8 (maleate)
Chemical Formula: C15H17N3O5
Exact Mass: 0.00
Molecular Weight: 319.320
Elemental Analysis: C, 56.42; H, 5.37; N, 13.16; O, 25.05

Price and Availability

Size	Price	Availability
1mg	USD 250	2 Weeks
5mg	USD 450	2 weeks
10mg	USD 630	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 179386-43-7 (free base) 179386-44-8 (maleate)

Synonym: PNU-95666; PNU 95666; PNU95666; U 95666E; U-95666E; U95666E; Sumanirole maleate

IUPAC/Chemical Name: (R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one maleate

InChi Key: VOJRMYBBPKNLLI-ORHWHDKWSA-N

InChi Code: InChI=1S/C11H13N3O.C4H4O4/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9;5-3(6)1-2-4(7)8/h2-4,8,12H,5-6H2,1H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-/t8-;/m1./s1

SMILES Code: O=C1NC2=C3N1C[C@H](NC)CC3=CC=C2.O=C(O)/C=C\C(O)=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: Related CAS# 179386-43-7 (Sumanirole free base). 179386-44-8 (Sumanirole maleate)

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	Sulforaphane is an inducer of Nrf2 and is also an inhibitor of histone deacetylase (HDAC) and NF-κB.
In vitro activity:	Dopamine homeostasis imbalance and dopamine receptors (DRs)-mediated AC/cAMP/PKA pathway activation might be vital mechanisms underlying aconitine-induced neurological injury. SCH23390 and sumanirole also reduced aconitine-induced cytotoxicity by inhibiting the AC/cAMP/PKA pathway in vitro. Reference: Front Pharmacol. 2022 Mar 18;13:837810. https://pubmed.ncbi.nlm.nih.gov/35370746/
In vivo activity:	Sumanirole was compared to placebo and ropinirole in a study involving 614 early Parkinson's disease patients. Over 40 weeks, sumanirole and ropinirole showed significant improvement in UPDRS II + III scores compared to placebo. However, noninferiority of sumanirole to ropinirole was not established. Sumanirole exhibited better tolerability than ropinirole. Reference: Mov Disord. 2007 Mar 15;22(4):476-82. https://pubmed.ncbi.nlm.nih.gov/17318839/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	12.5	39.15
	DMSO	16.0	50.11
	PBS (pH 7.2)	5.0	15.66

Preparing Stock Solutions

The following data is based on the product molecular weight 319.32 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. Zhou J, Peng C, Li Q, Yan X, Yang L, Li M, Cao X, Xie X, Chen D, Rao C, Huang S, Peng F, Pan X. Dopamine Homeostasis Imbalance and Dopamine Receptors-Mediated AC/cAMP/PKA Pathway Activation are Involved in Aconitine-Induced Neurological Impairment in Zebrafish and SH-SY5Y Cells. Front Pharmacol. 2022 Mar 18;13:837810. doi: 10.3389/fphar.2022.837810. Erratum in: Front Pharmacol. 2023 May 16;14:1219561. PMID: 35370746; PMCID: PMC8971779. 2. Weissenrieder JS, Reed JL, Green MV, Moldovan GL, Koubek EJ, Neighbors JD, Hohl RJ. The Dopamine D2 Receptor Contributes to the Spheroid Formation Behavior of U87 Glioblastoma Cells. Pharmacology. 2020;105(1-2):19-27. doi: 10.1159/000502562. Epub 2019 Oct 23. PMID: 31645049; PMCID: PMC10777736. 3. Weber M, Chang WL, Breier MR, Yang A, Millan MJ, Swerdlow NR. The effects of the dopamine D2 agonist sumanirole on prepulse inhibition in rats. Eur Neuropsychopharmacol. 2010 Jun;20(6):421-5. doi: 10.1016/j.euroneuro.2010.02.011. Epub 2010 Mar 25. PMID: 20346635; PMCID: PMC2864324. 4. Singer C, Lamb J, Ellis A, Layton G; Sumanirole for Early Parkinson's Disease Study Group. A comparison of sumanirole versus placebo or ropinirole for the treatment of patients with early Parkinson's disease. Mov Disord. 2007 Mar 15;22(4):476-82. doi: 10.1002/mds.21361. PMID: 17318839.
In vitro protocol:	1. Zhou J, Peng C, Li Q, Yan X, Yang L, Li M, Cao X, Xie X, Chen D, Rao C, Huang S, Peng F, Pan X. Dopamine Homeostasis Imbalance and Dopamine Receptors-Mediated AC/cAMP/PKA Pathway Activation are Involved in Aconitine-Induced Neurological Impairment in Zebrafish and SH-SY5Y Cells. Front Pharmacol. 2022 Mar 18;13:837810. doi: 10.3389/fphar.2022.837810. Erratum in: Front Pharmacol. 2023 May 16;14:1219561. PMID: 35370746; PMCID: PMC8971779. 2. Weissenrieder JS, Reed JL, Green MV, Moldovan GL, Koubek EJ, Neighbors JD, Hohl RJ. The Dopamine D2 Receptor Contributes to the Spheroid Formation Behavior of U87 Glioblastoma Cells. Pharmacology. 2020;105(1-2):19-27. doi: 10.1159/000502562. Epub 2019 Oct 23. PMID: 31645049; PMCID: PMC10777736.
In vivo protocol:	1. Weber M, Chang WL, Breier MR, Yang A, Millan MJ, Swerdlow NR. The effects of the dopamine D2 agonist sumanirole on prepulse inhibition in rats. Eur Neuropsychopharmacol. 2010 Jun;20(6):421-5. doi: 10.1016/j.euroneuro.2010.02.011. Epub 2010 Mar 25. PMID: 20346635; PMCID: PMC2864324. 2. Singer C, Lamb J, Ellis A, Layton G; Sumanirole for Early Parkinson's Disease Study Group. A comparison of sumanirole versus placebo or ropinirole for the treatment of patients with early Parkinson's disease. Mov Disord. 2007 Mar 15;22(4):476-82. doi: 10.1002/mds.21361. PMID: 17318839.

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1: Zou MF, Keck TM, Kumar V, Donthamsetti P, Michino M, Burzynski C, Schweppe C, Bonifazi A, Free RB, Sibley DR, Janowsky A, Shi L, Javitch JA, Newman AH. Novel Analogues of (R)-5-(Methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (Sumanirole) Provide Clues to Dopamine D2/D3 Receptor Agonist Selectivity. J Med Chem. 2016 Apr 14;59(7):2973-88. doi: 10.1021/acs.jmedchem.5b01612. Epub 2016 Apr 1. PubMed PMID: 27035329; PubMed Central PMCID: PMC4915350.

2: Weber M, Chang WL, Breier MR, Yang A, Millan MJ, Swerdlow NR. The effects of the dopamine D2 agonist sumanirole on prepulse inhibition in rats. Eur Neuropsychopharmacol. 2010 Jun;20(6):421-5. doi: 10.1016/j.euroneuro.2010.02.011. Epub 2010 Mar 25. PubMed PMID: 20346635; PubMed Central PMCID: PMC2864324.

3: Singer C, Lamb J, Ellis A, Layton G; Sumanirole for Early Parkinson's Disease Study Group. A comparison of sumanirole versus placebo or ropinirole for the treatment of patients with early Parkinson's disease. Mov Disord. 2007 Mar 15;22(4):476-82. PubMed PMID: 17318839.

4: Garcia-Borreguero D, Winkelman J, Adams A, Ellis A, Morris M, Lamb J, Layton G, Versavel M; Sumanirole in RLS Study Group. Efficacy and tolerability of sumanirole in restless legs syndrome: a phase II, randomized, double-blind, placebo-controlled, dose-response study. Sleep Med. 2007 Mar;8(2):119-27. Epub 2007 Jan 18. PubMed PMID: 17239657.

5: Barone P, Lamb J, Ellis A, Clarke Z. Sumanirole versus placebo or ropinirole for the adjunctive treatment of patients with advanced Parkinson's disease. Mov Disord. 2007 Mar 15;22(4):483-9. PubMed PMID: 17115380.

6: McCall RB, Lookingland KJ, Bédard PJ, Huff RM. Sumanirole, a highly dopamine D2-selective receptor agonist: in vitro and in vivo pharmacological characterization and efficacy in animal models of Parkinson's disease. J Pharmacol Exp Ther. 2005 Sep;314(3):1248-56. Epub 2005 Jun 24. PubMed PMID: 15980060.

7: de Paulis T. Sumanirole Pharmacia. Curr Opin Investig Drugs. 2003 Jan;4(1):77-82. Review. PubMed PMID: 12625034.

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Sumanirole maleate featured