ACK1-B19

Base Information

Chemical Name:ACK1-B19
CAS No.:1234480-46-6
Molecular Formula:C₂₄H₂₇N₇O₂
Molecular Weight:445.524
Hs Code.:
Mol file:1234480-46-6.mol

Synonyms:2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

Suppliers and Price of ACK1-B19

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
XMD8-87
5mg
$ 215.00

Tocris
XMD8-87 ≥98%(HPLC)
10
$ 183.00

Tocris
XMD8-87 ≥98%(HPLC)
50
$ 771.00

DC Chemicals
XMD8-87 >98%
100 mg
$ 550.00

ChemScene
XMD8-87 98.29%
100mg
$ 1056.00

ChemScene
XMD8-87 98.29%
50mg
$ 660.00

ChemScene
XMD8-87 98.29%
25mg
$ 420.00

ChemScene
XMD8-87 98.29%
10mg
$ 192.00

ChemScene
XMD8-87 98.29%
5mg
$ 132.00

Cayman Chemical
XMD8-87 ≥98%
1mg
$ 65.00

Total 15 raw suppliers

Chemical Property of ACK1-B19

Chemical Property:

PKA:10.18±0.20(Predicted)
Density:1.283±0.06 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

XMD8-87 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Description XMD8-87 is an inhibitor of tyrosine kinase non-receptor 2 (TNK2) with an IC50 value of 1.9 μM in HEK293T cells expressing human TNK2. It is selective for TNK2 over a panel of approximately 100 kinases with >90 and <50% inhibition for TNK2 and all other kinases tested, respectively. XMD8-87 inhibits growth of Ba/F3 cells expressing constitutively active mutant TNK2s (IC50s = 0.1-77 nM) commonly found in leukemias but has no effect on cells expressing wild-type TNK2 (IC50 = >1 μM).
Uses XMD8-87 is used in the studies of benzopyrimidodiazepinones as most selective and potent ERK5 inhibitor.

Technology Process of ACK1-B19

There total 4 articles about ACK1-B19 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: 66.0%

: 122833-04-9
2-methoxy-4-(4-methylpiperazin-1-yl)aniline

: 66427-86-9
2-chloro-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido-[5,4-b][1,4]diazepin-6-one

: 1234480-46-6
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

Guidance literature:: With Pd₂dba3*CH₂Cl₂; potassium carbonate; XPhos; In tert-butyl alcohol; at 100 ℃; for 6h; Inert atmosphere;
DOI:10.1016/j.bmcl.2020.126948

Reference yield:

: 1234479-74-3
ethyl 2-((2-chloro-5-nitropyrimidin-4-yl)(methyl)amino)benzoate

: 1234480-46-6
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

Guidance literature:: Multi-step reaction with 2 steps

1: iron; acetic acid / 50 °C

2: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; XPhos / tert-butyl alcohol / 100 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; potassium carbonate; acetic acid; XPhos; In tert-butyl alcohol;
DOI:10.1021/ml100304b

Reference yield:

: 35472-56-1
N-methyl-anthranilic acid ethyl ester

: 1234480-46-6
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

Guidance literature:: Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane / 50 °C

2: iron; acetic acid / 50 °C

3: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; XPhos / tert-butyl alcohol / 100 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; potassium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; XPhos; In 1,4-dioxane; tert-butyl alcohol;
DOI:10.1021/ml100304b