4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine

Base Information

• Chemical Name: 4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine
• CAS No.: 700874-71-1
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.5249
• Hs Code.: 29349990
• UNII: DV3HD37UBK
• ChEMBL ID: CHEMBL260015
• DSSTox Substance ID: DTXSID30470111
• Nikkaji Number: J3.492.331K
• Pharos Ligand ID: H5WS19MQJCUB
• Wikidata: Q27082613
• Wikipedia: LY-2109761
• Mol file: 700874-71-1.mol

Synonyms:LY2109761

Chemical Property of 4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine

Chemical Property:

• Boiling Point: 640.9±55.0 °C(Predicted)
• PKA: 6.27±0.10(Predicted)
• PSA: 65.30000
• Density: 1.34
• LogP: 3.75540
• Solubility.: ≥22.1 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 441.21647512
• Heavy Atom Count: 33
• Complexity: 632

Purity/Quality:

99% ^*data from raw suppliers

LY 2109761 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6
• Description: LY2109761 is a novel selective TGF-β receptor type I/II (TβRI/II) dual inhibitor with Ki of 38 nM and 300 nM in a cell-free assay, respectively; shown to negatively affect the phosphorylation of Smad2. LY2157299 is a small molecule inhibitor of the TGF-β receptor type 1/type II kinases (IC50 = 69 nM). It has been used to study the role of TGF-β signaling in tumor cell migration and metastasis in pancreatic tumor cell lines where 5 μM of the compound completely disrupts Smad-2 phosphorylation, an immediate downstream target of the kinase activity. It can also suppress radiation-induced inflammatory cytokine signaling and proangiogenic genes, including ID1, in human primary fibrobalsts.
• Uses: LY 2109761 is a novel transforming growth factor beta receptor type I and type II dual inhibitor that is potentially used to treat and suppress pancreatic cancer.

Technology Process of 4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine

There total 1 articles about 4-(2-((4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)oxy)ethyl)morpholine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

morpholine (110-91-8,99108-56-2) + methanesulfonic acid 2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1, 2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethyl ester (700874-75-5) → LY 2109761 (700874-71-1)

Guidance literature:

at 50 ℃; for 4h;

upstream raw materials:

morpholine

methanesulfonic acid 2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1, 2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethyl ester

Refernces

• 1、 -. "QUINOLINYL-PYRROLOPYRAZOLES". Page 7. . Retrieved 2010/02/07.