Cep-11981

Base Information

Chemical Name:Cep-11981
CAS No.:856691-93-5
Molecular Formula:C₂₈H₂₇N₇O
Molecular Weight:477.569
Hs Code.:
UNII:J8AY0Z4CBP
ChEMBL ID:CHEMBL2010872
DSSTox Substance ID:DTXSID80234942
NCI Thesaurus Code:C82379
Pharos Ligand ID:HAP9SA4DF7FW
Wikidata:Q27075849

Synonyms:11-(2-methylpropyl)-12,13-dihydro-2-methyl-8-(pyrimidin-2-ylamino)-4H-indazolo(5,4-a)pyrrolo(3,4-c)carbazol-4-one;CEP-11981

Suppliers and Price of Cep-11981

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

Total 7 raw suppliers

Chemical Property of Cep-11981

Chemical Property:

PSA：104.01000
LogP:4.07950
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:477.22770851
Heavy Atom Count:36
Complexity:833

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=O
Recent ClinicalTrials:Multicenter Trial of ESK981 in Patients With Select Solid Tumors

Technology Process of Cep-11981

There total 8 articles about Cep-11981 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:

: 855260-38-7
11-(2-methylpropyl)-12,13-dihydro-2-methyl-8-amino-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one

: 64-19-7,77671-22-8
acetic acid

: 4595-60-2
2-bromopyrimidine

: 856691-93-5
CEP-11981

: 2C₂H₄O₂*C₂₈H₂₇N₇O

Guidance literature:: 11-(2-methylpropyl)-12,13-dihydro-2-methyl-8-amino-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one; 2-bromopyrimidine; With triethylamine; In butan-1-ol; at 117 ℃; for 20h;

acetic acid; In butan-1-ol; at 75 ℃;

Reference yield:

: 2C₂H₄O₂*C₂₈H₂₇N₇O

: 856691-93-5
CEP-11981

Guidance literature:: In Isopropyl acetate; at 10 - 70 ℃; Industry scale;

Reference yield:

: 855260-38-7
11-(2-methylpropyl)-12,13-dihydro-2-methyl-8-amino-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one

: 856691-93-5
CEP-11981

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / butan-1-ol / 20 h / 117 °C / Industry scale

1.2: 0.25 h / 75 °C / Industry scale

2.1: Isopropyl acetate / 10 - 70 °C / Industry scale

With triethylamine; In Isopropyl acetate; butan-1-ol;