Apixaban ethyl ester

Name: Apixaban ethyl ester
Brand: ChemScene
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CAS No. 503614-91-3
Cat. No. CS-M3061
Purity≥98%
MDL No.MFCD18072444

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 503614-91-3

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General Information

CAS No. 503614-91-3
Cat. No. CS-M3061
Purity ≥98%
MDL No. MFCD18072444
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₂₈N₄O₅
Molecular Weight 488.54
Synonym(s) None
SMILES O=C(N(C(C=C1)=CC=C1N(CCCC2)C2=O)CC3)C4=C3C(C(OCC)=O)=NN4C5=CC=C(OC)C=C5

Description

FaX-IN-1 is a bench-stable, electron-deficient heterocycle designed for efficient coupling in late-stage functionalization. This scaffold integrates seamlessly into complex molecular architectures, offering high reactivity under mild conditions with minimal side-product formation.

Application

FaX-IN-1 serves as a well-defined synthetic intermediate for constructing biologically relevant heterocyclic scaffolds, particularly in the context of kinase inhibitor development. Its stable pyridine core and strategically positioned electron-withdrawing substituents enable reliable coupling reactions under standard conditions. The compound exhibits excellent bench stability, facilitates straightforward purification via column chromatography, and demonstrates broad functional group tolerance in late-stage diversification workflows.

Synthesis

Route1
- In-stock
  
  675-20-7
- In-stock
  
  473927-64-9
- ~68%
- In-stock
  
  503614-91-3
References
- WO2012/168364 A1, ; Page/Page column 18-19 ;
Route2
- In-stock
  
  545445-44-1
- In-stock
  
  473927-63-8
- ~76%
- In-stock
  
  503614-91-3
References
- Synthetic Communications, , vol. 43, # 1 p. 72 - 79
Route3
- 881386-12-5
- ~%
- In-stock
  
  503614-91-3
References
- WO2013/119328 A1, ; Paragraph 0033; 0034; 0035 ;

Safety Information

Download SDS

GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H412
Precautionary Statements : P273-P501

Quality Control

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Computational Chemistry Data

TPSA 93.97
LogP 3.7774
H_Acceptors 7
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Apixaban ethyl ester

CAS No. 503614-91-3

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