MedKoo Cat#: 464200 | Name: O-Carbamate 66

Description:

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

O-Carbamate 66 is a novel potent antileishmanial and antitrypanosomal agent, offering a more optimal balance of increased solubility, suitable metabolic stability, excellent oral bioavailability (100%), and strong in vivo efficacy in a visceral leishmaniasis mouse model (97% parasite load reduction at 25 mg/kg).

Chemical Structure

O-Carbamate 66
O-Carbamate 66
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464200

Name: O-Carbamate 66

CAS#: unknown

Chemical Formula: C16H15F3N4O6

Exact Mass: 416.0944

Molecular Weight: 416.31

Elemental Analysis: C, 46.16; H, 3.63; F, 13.69; N, 13.46; O, 23.06

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
O-Carbamate 66; O-Carbamate-66; O Carbamate 66; O Carbamate-66;
IUPAC/Chemical Name
(7-methyl-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl (4-(trifluoromethoxy)phenyl)carbamate
InChi Key
HBJBNGLJCUFYIO-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H15F3N4O6/c1-15(6-7-22-8-12(23(25)26)21-13(22)29-15)9-27-14(24)20-10-2-4-11(5-3-10)28-16(17,18)19/h2-5,8H,6-7,9H2,1H3,(H,20,24)
SMILES Code
O=C(OCC1(C)CCN2C(O1)=NC([N+]([O-])=O)=C2)NC3=CC=C(OC(F)(F)F)C=C3
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
to be determined
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
Solvent mg/mL mM
Solubility
To be determined 0.0 100.00
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 416.31 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: Thompson AM, O'Connor PD, Yardley V, Maes L, Launay D, Braillard S, Chatelain E, Wan B, Franzblau SG, Ma Z, Cooper CB, Denny WA. Novel Linker Variants of Antileishmanial/Antitubercular 7-Substituted 2-Nitroimidazooxazines Offer Enhanced Solubility. ACS Med Chem Lett. 2021 Jan 21;12(2):275-281. doi: 10.1021/acsmedchemlett.0c00649. PMID: 33603975; PMCID: PMC7883471.