MedKoo Cat#: 412427 | Name: Casimiroin

Description:

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

Casimiroin is a quinone reductase 2 inhibitor; isolated from Casimiroa edulis.

Chemical Structure

Casimiroin
Casimiroin
CAS#477-89-4

Theoretical Analysis

MedKoo Cat#: 412427

Name: Casimiroin

CAS#: 477-89-4

Chemical Formula: C12H11NO4

Exact Mass: 233.0688

Molecular Weight: 233.22

Elemental Analysis: C, 61.80; H, 4.75; N, 6.01; O, 27.44

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 #
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Synonym
Casimiroin; UNII-1X2A1U6BH3
IUPAC/Chemical Name
1,3-Dioxolo(4,5-h)quinolin-8(9H)-one, 6-methoxy-9-methyl-
InChi Key
DPXXJCMMMXZVSW-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
SMILES Code
O=C1N(C)C2=C(C=CC3=C2OCO3)C(OC)=C1
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
>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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 233.22 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
1: Wang M, Gao M, Miller KD, Sledge GW, Hutchins GD, Zheng QH. Synthesis of carbon-11-labeled casimiroin analogues as new potential PET agents for imaging of quinone reductase 2 and aromatase expression in breast cancer. Steroids. 2010 Dec;75(12):967-73. doi: 10.1016/j.steroids.2010.06.004. Epub 2010 Jun 15. PMID: 20558190. 2: Maiti A, Reddy PV, Sturdy M, Marler L, Pegan SD, Mesecar AD, Pezzuto JM, Cushman M. Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84. doi: 10.1021/jm801335z. PMID: 19265439; PMCID: PMC2673050. 3: Froldi G, Bertin R, Secchi E, Zagotto G, Martínez-Vázquez M, García-Argaéz A. Vasorelaxation by extracts of Casimiroa spp. in rat resistance vessels and pharmacological study of cellular mechanisms. J Ethnopharmacol. 2011 Apr 12;134(3):637-43. doi: 10.1016/j.jep.2011.01.008. Epub 2011 Jan 12. PMID: 21236328.