O-Demethyl apixaban sulfate | CAS# 1118765-14-2 | Xa Inhibitor Metabolite

MedKoo Cat#: 573212 | Name: O-Demethyl apixaban sulfate

Description:

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

O-Demethyl apixaban sulfate is a metabolite of Apixaban, a potent and highly selective factor Xa inhibitor. Apixaban is currently under development for treatment of arterial and venous thrombotic diseases.

Chemical Structure

O-Demethyl apixaban sulfate

CAS#1118765-14-2

Theoretical Analysis

MedKoo Cat#: 573212

Name: O-Demethyl apixaban sulfate

CAS#: 1118765-14-2

Chemical Formula: C24H23N5O7S

Exact Mass: 525.1318

Molecular Weight: 525.54

Elemental Analysis: C, 54.85; H, 4.41; N, 13.33; O, 21.31; S, 6.10

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

O-Demethyl apixaban sulfate, Apixaban (metabolite M1), Apixaban (M1)

IUPAC/Chemical Name

1H-Pyrazolo(3,4-C)pyridine-3-carboxamide, 4,5,6,7-tetrahydro-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1-(4-(sulfooxy)phenyl)-

InChi Key

HRIFVOGTDGFZKP-UHFFFAOYSA-N

InChi Code

1S/C24H23N5O7S/c25-23(31)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)30)24(32)22(19)29(26-21)17-8-10-18(11-9-17)36-37(33,34)35/h4-11H,1-3,12-14H2,(H2,25,31)(H,33,34,35)

SMILES Code

NC(=O)c1nn(c2ccc(OS(=O)(=O)O)cc2)c3C(=O)N(CCc13)c4ccc(cc4)N5CCCCC5=O

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 525.54 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: Wong PC, Pinto DJ, Zhang D. Preclinical discovery of apixaban, a direct and orally bioavailable factor Xa inhibitor. J Thromb Thrombolysis. 2011 May;31(4):478-92. doi: 10.1007/s11239-011-0551-3. Review. PubMed PMID: 21318583; PubMed Central PMCID: PMC3090580. 2: Zhang D, He K, Raghavan N, Wang L, Crain EJ, He B, Xin B, Luettgen JM, Wong PC. Metabolism, pharmacokinetics and pharmacodynamics of the factor Xa inhibitor apixaban in rabbits. J Thromb Thrombolysis. 2010 Jan;29(1):70-80. doi: 10.1007/s11239-009-0401-8. PubMed PMID: 19851712. 3: Wang L, Raghavan N, He K, Luettgen JM, Humphreys WG, Knabb RM, Pinto DJ, Zhang D. Sulfation of o-demethyl apixaban: enzyme identification and species comparison. Drug Metab Dispos. 2009 Apr;37(4):802-8. doi: 10.1124/dmd.108.025593. Epub 2009 Jan 8. PubMed PMID: 19131519. 4: Raghavan N, Frost CE, Yu Z, He K, Zhang H, Humphreys WG, Pinto D, Chen S, Bonacorsi S, Wong PC, Zhang D. Apixaban metabolism and pharmacokinetics after oral administration to humans. Drug Metab Dispos. 2009 Jan;37(1):74-81. doi: 10.1124/dmd.108.023143. Epub 2008 Oct 2. PubMed PMID: 18832478.