Synonym
AN15368; AN 15368; AN-15368
IUPAC/Chemical Name
(tetrahydro-2H-pyran-4-yl)methyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate
InChi Key
MCKPYEQRZUCJKI-SFHVURJKSA-N
InChi Code
InChI=1S/C20H28BNO6/c1-12(2)18(20(24)27-10-14-6-8-26-9-7-14)22-19(23)16-5-4-15-11-28-21(25)17(15)13(16)3/h4-5,12,14,18,25H,6-11H2,1-3H3,(H,22,23)/t18-/m0/s1
SMILES Code
CC(C)[C@@H](C(OCC1CCOCC1)=O)NC(C2=CC=C3C(B(O)OC3)=C2C)=O
Appearance
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
389.26
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 |
Padilla AM, Wang W, Akama T, Carter DS, Easom E, Freund Y, Halladay JS, Liu Y, Hamer SA, Hodo CL, Wilkerson GK, Orr D, White B, George A, Shen H, Jin Y, Wang MZ, Tse S, Jacobs RT, Tarleton RL. Discovery of an orally active benzoxaborole prodrug effective in the treatment of Chagas disease in non-human primates. Nat Microbiol. 2022 Oct;7(10):1536-1546. doi: 10.1038/s41564-022-01211-y. Epub 2022 Sep 5. PMID: 36065062; PMCID: PMC9519446.
