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

MedKoo CAT#: 522361

CAS#: 213400-34-1

Description: UPF-648 is a kynurenine 3-monooxygenase (KMO) inhibitor. UPF 648 binds close to the FAD cofactor and perturbs the local active-site structure, preventing productive binding of the substrate l-kynurenine. UPF-648 may be potentially useful for neurodegenerative diseases such as Huntington's, Alzheimer's and Parkinson's diseases.

Chemical Structure

CAS# 213400-34-1

Theoretical Analysis

MedKoo Cat#: 522361
Name: UPF-648
CAS#: 213400-34-1
Chemical Formula: C11H8Cl2O3
Exact Mass: 257.98505
Molecular Weight: 259.08
Elemental Analysis: C, 51.00; H, 3.11; Cl, 27.37; O, 18.53

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Synonym: UPF-648, UPF 648, UPF648

IUPAC/Chemical Name: 2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid


InChi Code: InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)

SMILES Code: ClC1=CC=C(C(C2C(C(O)=O)C2)=O)C=C1Cl

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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 259.08 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

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1: Amaral M, Levy C, Heyes DJ, Lafite P, Outeiro TF, Giorgini F, Leys D, Scrutton NS. Structural basis of kynurenine 3-monooxygenase inhibition. Nature. 2013 Apr 18;496(7445):382-5. doi: 10.1038/nature12039. Epub 2013 Apr 10. PubMed PMID: 23575632; PubMed Central PMCID: PMC3736096.

2: Amori L, Guidetti P, Pellicciari R, Kajii Y, Schwarcz R. On the relationship between the two branches of the kynurenine pathway in the rat brain in vivo. J Neurochem. 2009 Apr;109(2):316-25. doi: 10.1111/j.1471-4159.2009.05893.x. Epub 2009 Feb 6. PubMed PMID: 19226371; PubMed Central PMCID: PMC3666345.

3: Ceresoli-Borroni G, Guidetti P, Amori L, Pellicciari R, Schwarcz R. Perinatal kynurenine 3-hydroxylase inhibition in rodents: pathophysiological implications. J Neurosci Res. 2007 Mar;85(4):845-54. PubMed PMID: 17279543.

4: Sapko MT, Guidetti P, Yu P, Tagle DA, Pellicciari R, Schwarcz R. Endogenous kynurenate controls the vulnerability of striatal neurons to quinolinate: Implications for Huntington's disease. Exp Neurol. 2006 Jan;197(1):31-40. Epub 2005 Aug 15. PubMed PMID: 16099455.