LY-364947

Base Information

• Chemical Name: LY-364947
• CAS No.: 396129-53-6
• Molecular Formula: C17H12N4
• Molecular Weight: 272.309
• Hs Code.: 2933990090
• Mol file: 396129-53-6.mol

Synonyms:4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline;

Chemical Property of LY-364947

Chemical Property:

• Vapor Pressure: 2.66E-09mmHg at 25°C
• Melting Point: >230℃ (dec.)
• Boiling Point: 490.8oC at 760 mmHg
• PKA: 8.94±0.50(Predicted)
• Flash Point: 268.7oC
• PSA: 54.46000
• Density: 1.283g/cm3
• LogP: 3.68690
• Storage Temp.: Store at RT
• Solubility.: DMSO: soluble2mg/mL, clear

Purity/Quality:

98%,99%, ^*data from raw suppliers

LY 364947 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 25-36/37/38-50/53
• Safety Statements: 26-45-60-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Description: LY-364947 (396129-53-6) is a selective ALK5 inhibitor, IC50 = 59, 400 and 1400 nM for TGF-β RI, TGF-β RII and MLK-7K, respectively.1 Inhibits Smad2 phosphorylation induced by TGF-β as well as fibronectin expression and MDA-MB-231 cell invasion.2 LY-364947 abolishes resistance of glioblastoma-initiating cells to radiation.3?Cell permeable.

Technology Process of LY-364947

There total 5 articles about LY-364947 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:

(E)-4-Methoxy-1-pyridin-2-yl-2-quinolin-4-yl-but-2-en-1-one → 4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-quinoline (396129-53-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 18h;

DOI:10.1021/jm0205705

Reference yield:

C6H4NCH2CHCCH2 (491-35-0) → 4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-quinoline (396129-53-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium bis(trimethylsilyl)amide / tetrahydrofuran / 0.17 h

1.2: tetrahydrofuran / 18 h

2.1: tetrahydrofuran / 48 h

3.1: hydrazine monohydrate / ethanol / 18 h

With hydrazine hydrate; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol;

DOI:10.1021/jm0205705

Reference yield:

methyl pyridine-2-carboxylate (2459-07-6,260998-83-2) → 4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]-quinoline (396129-53-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium bis(trimethylsilyl)amide / tetrahydrofuran / 0.17 h

1.2: tetrahydrofuran / 18 h

2.1: tetrahydrofuran / 48 h

3.1: hydrazine monohydrate / ethanol / 18 h

With hydrazine hydrate; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol;

DOI:10.1021/jm0205705

upstream raw materials:

C₆H₄NCH₂CHCCH₂

methyl pyridine-2-carboxylate

2-(quinolin-4-yl)-1-(pyridin-2-yl)-ethanone

Refernces

• 1、 Sawyer, J. Scott,Anderson, Bryan D.,Beight, Douglas W.,Campbell, Robert M.,Jones, Michael L.,Herron, David K.,Lampe, John W.,McCowan, Jefferson R.,McMillen, William T.,Mort, Nicholas,Parsons, Stephen,Smith, Edward C. R.,Vieth, Michal,Weir, Leonard C.,Yan, Lei,Zhang, Faming,Yingling, Jonathan M.. "Synthesis and activity of new aryl- and heteroaryl-substituted pyrazole inhibitors of the transforming growth factor-β type I receptor kinase domain". . p. 3953 - 3956. Retrieved 2007/10/03.