3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione

Base Information

Chemical Name:3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione
CAS No.:603288-22-8
Molecular Formula:C28H25FN6O3
Molecular Weight:512.53
Hs Code.:
UNII:822M3GYM67
DSSTox Substance ID:DTXSID90209085
Nikkaji Number:J2.867.237C
Wikidata:Q27082598
NCI Thesaurus Code:C116849
Pharos Ligand ID:8PZL32HN9A98
Metabolomics Workbench ID:152993
ChEMBL ID:CHEMBL362558
Mol file:603288-22-8.mol

3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione

Synonyms:3-(9-fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro(1,4)diazepino(6,7,1-hi)indol-7-yl)-4-imidazo(1,2-a)pyridin-3-yl-1H-pyrrole-2,5-dione;LY2090314

Suppliers and Price of 3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione

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

Usbiological
LY 2090314
100mg
$ 1932.00

DC Chemicals
LY2090314 >98%
250 mg
$ 1300.00

DC Chemicals
LY2090314 >98%
1 g
$ 2600.00

DC Chemicals
LY2090314 >98%
100 mg
$ 750.00

Crysdot
LY2090314 98+%
25mg
$ 355.00

Crysdot
LY2090314 98+%
50mg
$ 490.00

Crysdot
LY2090314 98+%
5mg
$ 88.00

Crysdot
LY2090314 98+%
10mg
$ 165.00

Crysdot
LY2090314 98+%
100mg
$ 795.00

ChemScene
LY2090314 99.01%
100mg
$ 950.00

Total 26 raw suppliers

Chemical Property of 3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione

Chemical Property:

PKA:7.41±0.60(Predicted)
PSA：95.44000
Density:1.55±0.1 g/cm3(Predicted)
LogP:3.56850
Storage Temp.:-20°C
Solubility.:insoluble in H2O; ≥91 mg/mL in DMSO; ≥4.27 mg/mL in EtOH with gentle warming and ultrasonic
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:512.19721684
Heavy Atom Count:38
Complexity:1030

Purity/Quality:

99%, ^*data from raw suppliers

LY 2090314 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7
Recent ClinicalTrials:A Study of LY2090314 in Patients With Advanced or Metastatic Cancer
Uses LY 2090314 is a novel glycogen synthase kinase-3α inhibitor for the treatment of acute myeloid leukemia.

Technology Process of 3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione

There total 18 articles about 3-(9-Fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione 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: 81.0%

: 21801-86-5
2-(imidazo-[1,2-a]pyridin-3-yl)acetamide

: 1239017-87-8
methyl 2-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-2-oxoacetate

: 603288-22-8
LY2090314

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at 5 - 20 ℃; Inert atmosphere;
DOI:10.1021/ol101405g