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MedKoo Cat#: 563375 | Name: Ro 41-0960
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Description:

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

Ro 41-0960 is a reversible and orally-active COMT-inhibitor.

Chemical Structure

Ro 41-0960
Ro 41-0960
CAS#125628-97-9

Theoretical Analysis

MedKoo Cat#: 563375

Name: Ro 41-0960

CAS#: 125628-97-9

Chemical Formula: C13H8FNO5

Exact Mass: 277.0387

Molecular Weight: 277.21

Elemental Analysis: C, 56.33; H, 2.91; F, 6.85; N, 5.05; O, 28.86

Price and Availability

Size Price Availability Quantity
25mg USD 290.00
50mg USD 470.00
100mg USD 765.00
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Related CAS #
No Data
Synonym
Ro 41-0960; Ro-41-0960; Ro41-0960;
IUPAC/Chemical Name
2'-Fluoro-3,4-dihydroxy-5-nitrobenzophenone
InChi Key
RQPAUNZYTYHKHA-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
SMILES Code
O=C(C1=CC=CC=C1F)C2=CC([N+]([O-])=O)=C(O)C(O)=C2
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, DMF, and ethanol
Shelf Life
>3 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
2934.99.03.00
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Ro 41-0960 prevents dopaminergic neuron loss induced by L-DOPA in primary rat rostral mesencephalic tegmentum cultures (EC50 = 0.1 µM). Ro 41-0960 (30 mg/kg) potentiates L-DOPA and carbidopa-induced reversal of reserpine-induced akinesias in rats and reserpine-induced catalepsy and hypothermia in mice. It reduces striatal 3-methyl-DOPA levels and increases striatal dopamine and 3,4-dihydroxyphenylacetic acid (DOPAC) levels in rats. Ro 41-0960 (150 mg/kg) also reduces fibroid volume in the Eker rat model of uterine fibroids.
In vitro activity:
Ro 41-0960 was able to significantly reduce Interleukin (IL)-6 levels in cell lines RAW 264.7 and Caco-2. IL-6 is a pro-inflammatory cytokine that plays a key role in the uncontrolled intestinal inflammatory process, which is a main characteristic of ulcerative colitis. Reference: Mol Divers. 2013 Aug;17(3):573-93. https://pubmed.ncbi.nlm.nih.gov/23793777/
In vivo activity:
In vivo injection with chelerythrine chloride or Ro-32-0432 into the ventral tegmental area (VTA) significantly suppressed the place preference and increased levels of dopamine in the nucleus accumbens induced by intra-VTA injection of orexins. Reference: Eur J Neurosci. 2007 Mar;25(5):1537-45. https://pubmed.ncbi.nlm.nih.gov/17425580/
Solvent mg/mL mM
Solubility
DMF 20.0 72.15
DMSO 20.0 72.15
Ethanol 20.0 72.15
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 277.21 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
Formulation protocol:
1. Galvez-Llompart M, Del Carmen Recio Iglesias M, Gálvez J, García-Domenech R. Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines. Mol Divers. 2013 Aug;17(3):573-93. doi: 10.1007/s11030-013-9458-6. Epub 2013 Jun 23. PMID: 23793777. 2. Lu F, Zahid M, Saeed M, Cavalieri EL, Rogan EG. Estrogen metabolism and formation of estrogen-DNA adducts in estradiol-treated MCF-10F cells. The effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin induction and catechol-O-methyltransferase inhibition. J Steroid Biochem Mol Biol. 2007 Jun-Jul;105(1-5):150-8. doi: 10.1016/j.jsbmb.2006.12.102. Epub 2007 May 16. PMID: 17582757; PMCID: PMC1986824. 3. Narita M, Nagumo Y, Miyatake M, Ikegami D, Kurahashi K, Suzuki T. Implication of protein kinase C in the orexin-induced elevation of extracellular dopamine levels and its rewarding effect. Eur J Neurosci. 2007 Mar;25(5):1537-45. doi: 10.1111/j.1460-9568.2007.05403.x. PMID: 17425580. 4. Ding YS, Logan J, Gatley SJ, Fowler JS, Volkow ND. PET studies of peripheral catechol-O-methyltransferase in non-human primates using [18F]Ro41-0960. J Neural Transm (Vienna). 1998;105(10-12):1199-211. doi: 10.1007/s007020050123. PMID: 9928889.
In vitro protocol:
1. Galvez-Llompart M, Del Carmen Recio Iglesias M, Gálvez J, García-Domenech R. Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines. Mol Divers. 2013 Aug;17(3):573-93. doi: 10.1007/s11030-013-9458-6. Epub 2013 Jun 23. PMID: 23793777. 2. Lu F, Zahid M, Saeed M, Cavalieri EL, Rogan EG. Estrogen metabolism and formation of estrogen-DNA adducts in estradiol-treated MCF-10F cells. The effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin induction and catechol-O-methyltransferase inhibition. J Steroid Biochem Mol Biol. 2007 Jun-Jul;105(1-5):150-8. doi: 10.1016/j.jsbmb.2006.12.102. Epub 2007 May 16. PMID: 17582757; PMCID: PMC1986824.
In vivo protocol:
1. Narita M, Nagumo Y, Miyatake M, Ikegami D, Kurahashi K, Suzuki T. Implication of protein kinase C in the orexin-induced elevation of extracellular dopamine levels and its rewarding effect. Eur J Neurosci. 2007 Mar;25(5):1537-45. doi: 10.1111/j.1460-9568.2007.05403.x. PMID: 17425580. 2. Ding YS, Logan J, Gatley SJ, Fowler JS, Volkow ND. PET studies of peripheral catechol-O-methyltransferase in non-human primates using [18F]Ro41-0960. J Neural Transm (Vienna). 1998;105(10-12):1199-211. doi: 10.1007/s007020050123. PMID: 9928889.
1: Gálvez-Llompart M, Recio MC, García-Domenech R, Gálvez J. Molecular topology: a strategy to identify novel compounds against ulcerative colitis. Mol Divers. 2017 Feb;21(1):219-234. doi: 10.1007/s11030-016-9706-7. Epub 2016 Oct 12. PubMed PMID: 27734189. 2: Gallardo E, Madrona A, Palma-Valdés R, Espartero JL, Santiago M. Effect of intracerebral hydroxytyrosol and its nitroderivatives on striatal dopamine metabolism: A study by in vivo microdialysis. Life Sci. 2015 Aug 1;134:30-5. doi: 10.1016/j.lfs.2015.04.026. Epub 2015 May 30. PubMed PMID: 26032260. 3: Yang H, Ahn C, Jeung EB. Differential expression of calcium transport genes caused by COMT inhibition in the duodenum, kidney and placenta of pregnant mice. Mol Cell Endocrinol. 2015 Feb 5;401:45-55. doi: 10.1016/j.mce.2014.11.020. Epub 2014 Dec 5. PubMed PMID: 25486511. 4: Herndon JM, Cholanians AB, Lizarraga LE, Lau SS, Monks TJ. Catechol-o-methyltransferase and 3,4-({+/-})-methylenedioxymethamphetamine toxicity. Toxicol Sci. 2014 May;139(1):162-73. doi: 10.1093/toxsci/kfu035. Epub 2014 Mar 3. PubMed PMID: 24591155; PubMed Central PMCID: PMC4007109. 5: Galvez-Llompart M, Del Carmen Recio Iglesias M, Gálvez J, García-Domenech R. Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines. Mol Divers. 2013 Aug;17(3):573-93. doi: 10.1007/s11030-013-9458-6. Epub 2013 Jun 23. PubMed PMID: 23793777. 6: Hassan MH, Fouad H, Bahashwan S, Al-Hendy A. Towards non-surgical therapy for uterine fibroids: catechol-O-methyl transferase inhibitor shrinks uterine fibroid lesions in the Eker rat model. Hum Reprod. 2011 Nov;26(11):3008-18. doi: 10.1093/humrep/der280. Epub 2011 Sep 6. PubMed PMID: 21896544; PubMed Central PMCID: PMC3196875. 7: Alhamadsheh MM, Connelly S, Cho A, Reixach N, Powers ET, Pan DW, Wilson IA, Kelly JW, Graef IA. Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med. 2011 Aug 24;3(97):97ra81. doi: 10.1126/scitranslmed.3002473. PubMed PMID: 21865539; PubMed Central PMCID: PMC3227540. 8: Schendzielorz N, Männistö PT, Karayiorgou M, Gogos JA, Raasmaja A. A transient inhibition and permanent lack of catechol-O-methyltransferase have minor effects on feeding pattern of female rodents. Basic Clin Pharmacol Toxicol. 2012 Apr;110(4):307-13. doi: 10.1111/j.1742-7843.2011.00783.x. Epub 2011 Sep 28. PubMed PMID: 21851556. 9: Antolino-Lobo I, Meulenbelt J, Nijmeijer SM, Scherpenisse P, van den Berg M, van Duursen MB. Differential roles of phase I and phase II enzymes in 3,4-methylendioxymethamphetamine-induced cytotoxicity. Drug Metab Dispos. 2010 Jul;38(7):1105-12. doi: 10.1124/dmd.110.032359. Epub 2010 Apr 13. PubMed PMID: 20388857. 10: Gui Y, Zheng XL, Zheng J, Walsh MP. Inhibition of rat aortic smooth muscle contraction by 2-methoxyestradiol. Am J Physiol Heart Circ Physiol. 2008 Nov;295(5):H1935-42. doi: 10.1152/ajpheart.00723.2008. Epub 2008 Sep 5. PubMed PMID: 18775847. 11: Wentz MJ, Shi SQ, Shi L, Salama SA, Harirah HM, Fouad H, Garfield RE, Al-Hendy A. Treatment with an inhibitor of catechol-O-methyltransferase activity reduces preterm birth and impedes cervical resistance to stretch in pregnant rats. Reproduction. 2007 Dec;134(6):831-9. PubMed PMID: 18042640. 12: Graves TL, Zhang Y, Scott JE. A universal competitive fluorescence polarization activity assay for S-adenosylmethionine utilizing methyltransferases. Anal Biochem. 2008 Feb 15;373(2):296-306. Epub 2007 Sep 29. PubMed PMID: 18028865; PubMed Central PMCID: PMC4144338. 13: Lu F, Zahid M, Saeed M, Cavalieri EL, Rogan EG. Estrogen metabolism and formation of estrogen-DNA adducts in estradiol-treated MCF-10F cells. The effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin induction and catechol-O-methyltransferase inhibition. J Steroid Biochem Mol Biol. 2007 Jun-Jul;105(1-5):150-8. Epub 2007 May 16. PubMed PMID: 17582757; PubMed Central PMCID: PMC1986824. 14: Hirose Y, Tsutsui TW, Ohno M, Barrett JC, Tsutsui T. Effects of a catechol-O-methyltransferase inhibitor on catechol estrogen-induced cellular transformation, chromosome aberrations and apoptosis in Syrian hamster embryo cells. Int J Cancer. 2007 Apr 15;120(8):1627-33. PubMed PMID: 17230533. 15: Ibarra FR, Armando I, Nowicki S, Carranza A, De Luca Sarobe V, Arrizurieta EE, Barontini M. Dopamine is metabolised by different enzymes along the rat nephron. Pflugers Arch. 2005 Jun;450(3):185-91. Epub 2005 Apr 30. PubMed PMID: 15864503. 16: van Duursen MB, Sanderson JT, de Jong PC, Kraaij M, van den Berg M. Phytochemicals inhibit catechol-O-methyltransferase activity in cytosolic fractions from healthy human mammary tissues: implications for catechol estrogen-induced DNA damage. Toxicol Sci. 2004 Oct;81(2):316-24. Epub 2004 Jul 14. PubMed PMID: 15254334. 17: Blessing H, Bareiss M, Zettlmeisl H, Schwarz J, Storch A. Catechol-O-methyltransferase inhibition protects against 3,4-dihydroxyphenylalanine (DOPA) toxicity in primary mesencephalic cultures: new insights into levodopa toxicity. Neurochem Int. 2003 Jan;42(2):139-51. PubMed PMID: 12421594. 18: Lavigne JA, Goodman JE, Fonong T, Odwin S, He P, Roberts DW, Yager JD. The effects of catechol-O-methyltransferase inhibition on estrogen metabolite and oxidative DNA damage levels in estradiol-treated MCF-7 cells. Cancer Res. 2001 Oct 15;61(20):7488-94. PubMed PMID: 11606384. 19: Storch A, Blessing H, Bareiss M, Jankowski S, Ling ZD, Carvey P, Schwarz J. Catechol-O-methyltransferase inhibition attenuates levodopa toxicity in mesencephalic dopamine neurons. Mol Pharmacol. 2000 Mar;57(3):589-94. PubMed PMID: 10692500. 20: Percy E, Kaye DM, Lambert GW, Gruskin S, Esler MD, Du XJ. Catechol-O-methyltransferase activity in CHO cells expressing norepinephrine transporter. Br J Pharmacol. 1999 Oct;128(3):774-80. PubMed PMID: 10516661; PubMed Central PMCID: PMC1571673.

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