MK-2048

Base Information

• Chemical Name: MK-2048
• CAS No.: 869901-69-9
• Molecular Formula: C₂₁H₂₁ClFN₅O₄
• Molecular Weight: 461.88
• Mol file: 869901-69-9.mol

Synonyms:ZZX;MK-2048;

Chemical Property of MK-2048

Chemical Property:

• PSA: 109.46000
• Density: 1.55
• LogP: 2.46950

Purity/Quality:

98% min ^*data from raw suppliers

MK-2048 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: MK-2048 represents a prototype second generation integrase strand transfer inhibitor (INSTI), it was developed with the goal of retaining activity against viruses containing mutations assiciated with resistance of first-generation INSTIs, raltegravir (R100312). MK-2048 exhibits inhibitory activity towards HIV integrase and towards HIV replication. It is four times more effective in inhibiting HIV enzyme integrase than the first generation inhibitor, raltegravir. MK-2048 represents a prototype second generation integrase strand transfer inhibitor (INSTI), it was developed with the goal of retaining activity against viruses containing mutations assiciated with resistance of first-generation INSTIs, raltegravir (R100312). MK-2048 exhibits inhibitory activity towards HIV integrase and towards HIV replication. It is four times more effective in inhibiting HIV enzyme integrase than the first generation inhibitor, raltegravir.

Technology Process of MK-2048

There total 3 articles about MK-2048 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:

(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-methoxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide → (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1’,2’:1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide (869901-69-9)

Guidance literature:

(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-methoxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide; With boron tribromide; In dichloromethane; at 20 ℃; for 0.0833333h;

With methanol; In dichloromethane; for 0.5h;

Reference yield:

3-chloro-4-fluorobenzyl bromide (192702-01-5) → (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1’,2’:1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide (869901-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran; N,N-dimethyl-formamide / 0.42 h / 0 °C

1.2: 0.17 h / 20 °C

2.1: boron tribromide / dichloromethane / 0.08 h / 20 °C

2.2: 0.5 h

With boron tribromide; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

→ 6(R)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide (869901-69-9)

Guidance literature:

upstream raw materials:

3-chloro-4-fluorobenzyl bromide

Refernces