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.

Chemical Structure

CAS# 2221950-65-6

Theoretical Analysis

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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 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

Preparing Stock Solutions

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.

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

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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.