Apixaban impurity 41

Name: Apixaban impurity 41
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 503614-92-4
Cat. No. CS-M2735
Purity≥97%
MDL No.MFCD22376657

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 503614-92-4

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General Information

CAS No. 503614-92-4
Cat. No. CS-M2735
Purity ≥97%
MDL No. MFCD22376657
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₅H₂₄N₄O₅
Molecular Weight 460.48
Synonym(s) None
SMILES O=C(C1=NN(C2=CC=C(OC)C=C2)C3=C1CCN(C4=CC=C(N5C(CCCC5)=O)C=C4)C3=O)O

Application

This tetrahydropyrazolopyridine carboxylic acid serves as a versatile scaffold for medicinal chemistry exploration, featuring orthogonal functional groups including a methoxyphenyl moiety, a piperidinone-phenyl substituent, and a carboxylic acid for derivatization. Its bench-stable structure facilitates modular synthesis and enables efficient coupling reactions in standard workflows. The core framework supports diverse heterocyclic transformations and is well-suited for building complex API-relevant architectures.

Synthesis

Route1
- In-stock
  
  675-20-7
- In-stock
  
  473927-64-9
- ~30%
- In-stock
  
  503614-91-3
- In-stock
  
  503614-92-4
References
- ZENTIVA, K.S.; HEJTMANKOVA, Ludmila; JIRMAN, Josef Patent: WO2014/75648 A1, 2014 ; Location in patent: Page/Page column 13 ;
Route2
- In-stock
  
  385425-15-0
- In-stock
  
  148-24-3
- 503614-56-0
- ~%
- In-stock
  
  503614-92-4
References
- Zhou, Jiacheng; Oh, Lynette M.; Ma, Philip; Li, Hui-Yin; Confalone, Pasquale Patent: US2003/181466 A1, 2003 ;
Route3
- In-stock
  
  27143-07-3
- ~%
- In-stock
  
  503614-92-4
References
- ZENTIVA, K.S.; HEJTMANKOVA, Ludmila; JIRMAN, Josef Patent: WO2014/75648 A1, 2014 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 104.97
LogP 3.2989
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Apixaban impurity 41

CAS No. 503614-92-4

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