TX-85-1

Base Information

• Chemical Name: TX-85-1
• CAS No.: 1603845-32-4
• Molecular Formula: C₃₂H₃₆N₈O₃
• Molecular Weight: 580.69
• Mol file: 1603845-32-4.mol

Synonyms:

Chemical Property of TX-85-1

Chemical Property:

• Boiling Point: 825.5±65.0 °C(Predicted)
• PKA: 12.34±0.70(Predicted)
• Density: 1.37±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

TX1-85-1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: TX 1-85-1 is the first selective Her3 ligand, forms a covalent bond with Cys721 located in the ATP-binding site of Her3.

Technology Process of TX-85-1

There total 7 articles about TX-85-1 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:

C29H34N8O2 + acryloyl chloride (814-68-6,25189-84-8) → TX1-85-1 (1603845-32-4)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2015.04.103

Reference yield:

4-amino-5-iodo-7H-pyrrolo[2,3‐d]pyrimidine (163622-50-2) → TX1-85-1 (1603845-32-4)

Guidance literature:

Multi-step reaction with 6 steps

1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 20 °C

2: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 20 °C

3: potassium carbonate; bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane; water / 100 °C

4: potassium carbonate / N,N-dimethyl-formamide / 80 °C

5: hydrogen / methanol / 20 °C

6: sodium hydrogencarbonate / tetrahydrofuran / 0 °C

With bis-triphenylphosphine-palladium(II) chloride; hydrogen; sodium tris(acetoxy)borohydride; sodium hydrogencarbonate; potassium carbonate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; methanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; 1: |Mitsunobu Displacement / 3: |Suzuki Coupling;

DOI:10.1016/j.bmcl.2015.04.103

Reference yield:

4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one (330792-72-8) → TX1-85-1 (1603845-32-4)

Guidance literature:

Multi-step reaction with 5 steps

1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 20 °C

2: potassium carbonate; bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane; water / 100 °C

3: potassium carbonate / N,N-dimethyl-formamide / 80 °C

4: hydrogen / methanol / 20 °C

5: sodium hydrogencarbonate / tetrahydrofuran / 0 °C

With bis-triphenylphosphine-palladium(II) chloride; hydrogen; sodium tris(acetoxy)borohydride; sodium hydrogencarbonate; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; methanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; 2: |Suzuki Coupling;

DOI:10.1016/j.bmcl.2015.04.103

upstream raw materials:

4-amino-5-iodo-7H-pyrrolo[2,3‐d]pyrimidine

acryloyl chloride

4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one

1-(4-(4-(4-amino-3-(4-fluoro-3-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl)piperazin-1-yl)ethanone