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MedKoo Cat#: 412428 | Name: Casimiroedine

Description:

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

Casimiroedine is a member of cinnamamides and a tertiary carboxamide.

Chemical Structure

Casimiroedine
Casimiroedine
CAS#5853-02-1

Theoretical Analysis

MedKoo Cat#: 412428

Name: Casimiroedine

CAS#: 5853-02-1

Chemical Formula: C21H27N3O6

Exact Mass: 417.1900

Molecular Weight: 417.46

Elemental Analysis: C, 60.42; H, 6.52; N, 10.07; O, 22.99

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 #
No Data
Synonym
Casimiroedine; NSC140860; NSC-140860; NSC 140860
IUPAC/Chemical Name
N-methyl-N-(2-(1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-imidazol-4-yl)ethyl)cinnamamide
InChi Key
CSFQQZOIHVWGMN-BBAXEOEJSA-N
InChi Code
InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1
SMILES Code
CN(C(/C=C/c1ccccc1)=O)CCc2ncn([C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)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
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 417.46 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: Panzica RP, Townsend LB. The total synthesis of the alkaloid casimiroedine, an imidazole nucleoside. J Am Chem Soc. 1973 Dec 26;95(26):8737-40. doi: 10.1021/ja00807a039. PMID: 4783411. 2: Magos GA, Vidrio H, Reynolds WF, Enríquez RG. Pharmacology of Casimiroa edulis IV. Hypotensive effects of compounds isolated from methanolic extracts in rats and guinea pigs. J Ethnopharmacol. 1999 Jan;64(1):35-44. doi: 10.1016/s0378-8741(98)00101-9. PMID: 10075120.