WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 563905
CAS#: 2221950-65-6
Description: OAT-2068 is a potent, selective, and orally bioavailable inhibitor of mouse chitotriosidase (mCHIT1). OAT-2068 displays a remarkable 143-fold mCHIT1 vs. mAMCase selectivity. OAT-2068 was found to have an excellent pharmacokinetic profile. OAT-2068 represents a highly potent and the most selective inhibitor of mCHIT1 described to date.
MedKoo Cat#: 563905
Name: OAT-2068
CAS#: 2221950-65-6
Chemical Formula: C23H36ClN7
Exact Mass: 445.2721
Molecular Weight: 446.04
Elemental Analysis: C, 61.93; H, 8.14; Cl, 7.95; N, 21.98
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Synonym: OAT-2068; OAT2068; OAT 2068
IUPAC/Chemical Name: 3-(4-((2S,5S)-2-(4-Chlorobenzyl)-4-isobutyl-5-methylpiperazin-1-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine
InChi Key: WHDYUSOWFWKVTD-UWJYYQICSA-N
InChi Code: InChI=1S/C23H36ClN7/c1-16(2)13-30-15-21(12-18-4-6-19(24)7-5-18)31(14-17(30)3)20-8-10-29(11-9-20)23-26-22(25)27-28-23/h4-7,16-17,20-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t17-,21-/m0/s1
SMILES Code: NC1=NC(N2CCC(N3[C@@H](CC4=CC=C(Cl)C=C4)CN(CC(C)C)[C@@H](C)C3)CC2)=NN1
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: 2934.99.03.00
The following data is based on the product molecular weight 446.04 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: Mazur M, Bartoszewicz A, Dymek B, Salamon M, Andryianau G, Kowalski M, Olejniczak S, Matyszewski K, Pluta E, Borek B, Stefaniak F, Zagozdzon A, Mazurkiewicz M, Koralewski R, Czestkowski W, Piotrowicz M, Niedziejko P, Gruza MM, Dzwonek K, Golebiowski A, Golab J, Olczak J. Discovery of selective, orally bioavailable inhibitor of mouse chitotriosidase. Bioorg Med Chem Lett. 2017 Dec 22. pii: S0960-894X(17)31221-0. doi: 10.1016/j.bmcl.2017.12.047. [Epub ahead of print] PubMed PMID: 29292229.
