MedKoo Cat#: 528213 | Name: ABT-963

Description:

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

ABT-963 is a cyclooxygenase 2 (COX-2) inhibitor potentially for the treatment of osteoarthritis and pain. ABT-963 has excellent selectivity in human whole blood, improved aqueous solubility compared with celecoxib and rofecoxib, high oral anti-inflammatory potency in vivo, and gastric safety in the animal studies. After oral administration, ABT-963 reduced prostaglandin E2 production in the rat carrageenan air pouch model and reduced the edema in the carrageenan induced paw edema model. ABT-963 dose dependently reduced nociception in the carrageenan hyperalgesia model. BT-963 significantly reduced bone loss and soft tissue destruction.

Chemical Structure

ABT-963
ABT-963
CAS#266320-83-6

Theoretical Analysis

MedKoo Cat#: 528213

Name: ABT-963

CAS#: 266320-83-6

Chemical Formula: C22H22F2N2O5S

Exact Mass: 464.1217

Molecular Weight: 464.48

Elemental Analysis: C, 56.89; H, 4.77; F, 8.18; N, 6.03; O, 17.22; S, 6.90

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
ABT-963; ABT963; ABT 963
IUPAC/Chemical Name
2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-(methylsulfonyl)phenyl)pyridazin-3(2H)-one
InChi Key
XNTLXAUHLBBEKP-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H22F2N2O5S/c1-22(2,28)10-11-31-20-17(14-4-7-16(8-5-14)32(3,29)30)13-25-26(21(20)27)15-6-9-18(23)19(24)12-15/h4-9,12-13,28H,10-11H2,1-3H3
SMILES Code
O=C1C(OCCC(C)(O)C)=C(C2=CC=C(S(=O)(C)=O)C=C2)C=NN1C3=CC=C(F)C(F)=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
Soluble in DMSO
Shelf Life
>2 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 464.48 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: Harris RR, Black L, Surapaneni S, Kolasa T, Majest S, Namovic MT, Grayson G, Komater V, Wilcox D, King L, Marsh K, Jarvis MF, Nuss M, Nellans H, Pruesser L, Reinhart GA, Cox B, Jacobson P, Stewart A, Coghlan M, Carter G, Bell RL. ABT-963 [2-(3,4-difluoro-phenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methanesulfonyl-pheny l)-2H-pyridazin-3-one], a highly potent and selective disubstituted pyridazinone cyclooxgenase-2 inhibitor. J Pharmacol Exp Ther. 2004 Dec;311(3):904-12. PubMed PMID: 15277581. 2: Chen Y, Zhang GG, Neilly J, Marsh K, Mawhinney D, Sanzgiri YD. Enhancing the bioavailability of ABT-963 using solid dispersion containing Pluronic F-68. Int J Pharm. 2004 Nov 22;286(1-2):69-80. PubMed PMID: 15501003.