O-Demethyl apixaban sulfate

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MedKoo CAT#: 573212

CAS#: 1118765-14-2

Description: 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

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O-Demethyl apixaban sulfate
CAS# 1118765-14-2
Instruction

Theoretical Analysis

MedKoo Cat#: 573212
Name: O-Demethyl apixaban sulfate
CAS#: 1118765-14-2
Chemical Formula: C24H23N5O7S
Exact Mass: 525.13
Molecular Weight: 525.540
Elemental Analysis: C, 54.85; H, 4.41; N, 13.33; O, 21.31; S, 6.10

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: 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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.