Miransertib

Base Information

Chemical Name:Miransertib
CAS No.:1313881-70-7
Molecular Formula:C₂₇H₂₄N₆
Molecular Weight:432.528
Hs Code.:
European Community (EC) Number:855-383-4
UNII:T1DQI1B52Y
Nikkaji Number:J3.532.768A
Wikidata:Q27456535
NCI Thesaurus Code:C99172
Pharos Ligand ID:PC7KTTFGLDFM
Metabolomics Workbench ID:155216
ChEMBL ID:CHEMBL4297188
Mol file:1313881-70-7.mol

Synonyms:3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)pyridin-2-amine;ARQ 092;Miransertib

Suppliers and Price of Miransertib

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

DC Chemicals
ARQ-092(Miransertib) >98%
1 g
$ 2300.00

DC Chemicals
ARQ-092(Miransertib) >98%
250 mg
$ 1300.00

DC Chemicals
ARQ-092(Miransertib) >98%
100 mg
$ 750.00

Crysdot
ARQ-092 98+%
10mg
$ 347.00

Crysdot
ARQ-092 98+%
5mg
$ 243.00

Crysdot
ARQ-092 98+%
50mg
$ 1042.00

Crysdot
ARQ-092 98+%
100mg
$ 1459.00

ChemScene
Miransertib 99.77%
100mg
$ 2040.00

ChemScene
Miransertib 99.77%
50mg
$ 1092.00

ChemScene
Miransertib 99.77%
10mg
$ 252.00

Total 13 raw suppliers

Chemical Property of Miransertib

Chemical Property:

Boiling Point:700.8±70.0 °C(Predicted)
PKA:9.17±0.20(Predicted)
Density:1.35±0.1 g/cm3(Predicted)
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:432.20624479
Heavy Atom Count:33
Complexity:653

Purity/Quality:

99%, ^*data from raw suppliers

ARQ-092(Miransertib) >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N
Recent ClinicalTrials:A Study of the Safety and Tolerability in Participants With PIK3CA-related Overgrowth Spectrum or Proteus Syndrome Who Are Being Treated With Miransertib (MK-7075) in Other Studies (MK-7075-006)
Recent EU Clinical Trials:A Multicenter, Open-label, Phase 2, Extension Trial to Study the Long-term Safety in Participants With PROS or Proteus Syndrome Who Are Currently Being Treated with Miransertib in Other Studies

Technology Process of Miransertib

There total 19 articles about Miransertib 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:

: 14377-68-5
1-phenylcyclobutanecarbonitrile

: 1313881-70-7
3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

Guidance literature:: Multi-step reaction with 7 steps

1: potassium nitrate; sulfuric acid / 20 °C

2: lead(IV) tetraacetate / 1.5 h / 80 °C

3: 5%-palladium/activated carbon; hydrogen / ethanol; methanol; n-heptane / 6 h / 20 °C / 2327.23 - 2585.81 Torr

4: sodium carbonate / N,N-dimethyl acetamide / 18.5 h / 100 °C

5: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / 22 h / 30 °C / 2068.65 Torr

6: acetic acid / methanol / 21 h / 20 °C

7: methanesulfonic acid / 2 h / 29 °C / Large scale

With methanesulfonic acid; sulfuric acid; 5%-palladium/activated carbon; palladium 10% on activated carbon; hydrogen; lead(IV) tetraacetate; sodium carbonate; acetic acid; potassium nitrate; In tetrahydrofuran; methanol; ethanol; n-heptane; N,N-dimethyl acetamide;

Reference yield:

: 140-29-4
phenylacetonitrile

: 1313881-70-7
3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

Guidance literature:: Multi-step reaction with 10 steps

1: potassium hydroxide; tetrabutylammomium bromide / toluene; water / 1 h / Reflux

2: potassium nitrate; sulfuric acid / 1 h / 15 °C

3: sulfuric acid; acetic acid / 18 h / 90 °C

4: sodium hydroxide / ethanol / 17 h / 60 °C

5: triethylamine; diphenyl phosphoryl azide / 80 - 81 °C

6: 5%-palladium/activated carbon; hydrogen / ethanol; methanol; n-heptane / 6 h / 20 °C / 2327.23 - 2585.81 Torr

7: sodium carbonate / N,N-dimethyl acetamide / 18.5 h / 100 °C

8: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / 22 h / 30 °C / 2068.65 Torr

9: acetic acid / methanol / 21 h / 20 °C

10: methanesulfonic acid / 2 h / 29 °C / Large scale

With methanesulfonic acid; sulfuric acid; diphenyl phosphoryl azide; 5%-palladium/activated carbon; palladium 10% on activated carbon; tetrabutylammomium bromide; hydrogen; sodium carbonate; acetic acid; potassium nitrate; triethylamine; potassium hydroxide; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; n-heptane; N,N-dimethyl acetamide; water; toluene;

Reference yield:

: 27048-04-0
2-amino-6-chloro-3-nitropyridine

: 1313881-70-7
3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

Guidance literature:: Multi-step reaction with 5 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / ethanol; toluene; water / 12 h / 80 - 85 °C / Inert atmosphere

2: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / tetrahydrofuran / 70 °C / Inert atmosphere

3: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / 22 h / 30 °C / 2068.65 Torr

4: acetic acid / methanol / 21 h / 20 °C

5: methanesulfonic acid / 2 h / 29 °C / Large scale

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrakis(triphenylphosphine) palladium⁽⁰⁾; methanesulfonic acid; palladium 10% on activated carbon; hydrogen; potassium carbonate; caesium carbonate; acetic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; methanol; ethanol; water; toluene;