Synonym
OAT-1441; OAT-1441; OAT1441
IUPAC/Chemical Name
(S)-3-(4-(3-(4-chlorobenzyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine
InChi Key
TYNJYIOCKJBQLY-FQEVSTJZSA-N
InChi Code
InChI=1S/C23H27ClN6O/c24-18-7-5-16(6-8-18)13-20-15-31-21-4-2-1-3-17(21)14-30(20)19-9-11-29(12-10-19)23-26-22(25)27-28-23/h1-8,19-20H,9-15H2,(H3,25,26,27,28)/t20-/m0/s1
SMILES Code
NC1=NC(N2CCC(N3CC(C=CC=C4)=C4OC[C@@H]3CC5=CC=C(Cl)C=C5)CC2)=NN1
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
438.96
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 |
1: Gleb Andryianau, Michal Kowalski, Michal C. Piotrowicz, Adam A. Rajkiewicz, Barbara Dymek, Piotr L. Sklepkiewicz, Elzbieta Pluta, Filip Stefaniak, Wojciech Czestkowski, Sylwia Olejniczak, Marzena Mazur, Piotr Niedziejko, Robert Koralewski, Krzysztof Matyszewski, Mariusz Gruza, Agnieszka Zagozdzon, Magdalena Salamon, Aleksandra Rymaszewska, Mikolaj Welzer, Karolina Dzwonek, Jakub Golab, Jacek Olczak, Agnieszka Bartoszewicz, and Adam Golebiowski. Benzoxazepine-Derived Selective, Orally Bioavailable Inhibitor of Human Acidic Mammalian Chitinase.J Med Chem. 2018 April 24. DOI: 10.1021/acsmedchemlett.0c00092
