WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H526217
CAS#: 204853-33-8
Description: Ro 61-1448 is a metabolite of tolcapone (Ro 40-7592), a catechol-O-methyltransferase inhibitor tolcapone.
Hodoodo Cat#: H526217
Name: Ro 61-1448
CAS#: 204853-33-8
Chemical Formula: C20H19NO11
Exact Mass: 449.10
Molecular Weight: 449.370
Elemental Analysis: C, 53.46; H, 4.26; N, 3.12; O, 39.16
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Synonym: Ro 61-1448; Ro 611448; Ro-61-1448.
IUPAC/Chemical Name: beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl
InChi Key: QQQCXCUCFPMHBX-HBWRTXEVSA-N
InChi Code: InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1
SMILES Code: O[C@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O)O)[C@@H]1OC2=CC(C(C3=CC=C(C)C=C3)=O)=CC([N+]([O-])=O)=C2O
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 449.37 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: | |
In vitro protocol: | |
In vivo protocol: |
1: Heizmann P, Schmitt M, Leube J, Martin H, Saner A. Determination of the catechol-O-methyltransferase inhibitor tolcapone and three of its metabolites in animal and human plasma and urine by reversed-phase high-performance liquid chromatography with ultraviolet detection. J Chromatogr B Biomed Sci Appl. 1999 Jul 9;730(2):153-60. PubMed PMID: 10448949.