Brivanib alaninate

Base Information

Chemical Name:Brivanib alaninate
CAS No.:649735-63-7
Deprecated CAS:924262-84-0
Molecular Formula:C₂₂H₂₄FN₅O₄
Molecular Weight:441.462
Hs Code.:2933990090
European Community (EC) Number:639-686-7
UNII:U2Y5OFN795
DSSTox Substance ID:DTXSID20215295
Nikkaji Number:J2.657.977E
Wikipedia:Brivanib_alaninate
Wikidata:Q4971701
NCI Thesaurus Code:C53397
Pharos Ligand ID:51MD1WG6Z5FC
Metabolomics Workbench ID:152951
ChEMBL ID:CHEMBL270995
Mol file:649735-63-7.mol

Synonyms:BMS 540215;BMS 582664;BMS-540215;BMS-582664;BMS540215;BMS582664;brivanib;brivanib alaninate

Suppliers and Price of Brivanib alaninate

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
BrivanibAlaninate
50 mg
$ 875.00

Matrix Scientific
(S)-(R)-1-((4-((5-Fluoro-2-methyl-1H-indol-6-yl)oxy)-5-methylpyrrolo-[2,1-f][1,2,4]triazin-6-yl)oxy)propan-2-yl 2-aminopropanoate 95%
1g
$ 3626.00

Matrix Scientific
(S)-(R)-1-((4-((5-Fluoro-2-methyl-1H-indol-6-yl)oxy)-5-methylpyrrolo-[2,1-f][1,2,4]triazin-6-yl)oxy)propan-2-yl 2-aminopropanoate 95%
100mg
$ 1814.00

DC Chemicals
Brivanibalaninate（BMS-582664） >98%
1 g
$ 2500.00

Crysdot
Brivanibalaninate 98+%
50mg
$ 512.00

Crysdot
Brivanibalaninate 98+%
100mg
$ 820.00

Crysdot
Brivanibalaninate 98+%
10mg
$ 248.00

ChemScene
Brivanib(alaninate) 99.45%
100mg
$ 1512.00

ChemScene
Brivanib(alaninate) 99.45%
50mg
$ 900.00

ChemScene
Brivanib(alaninate) 99.45%
10mg
$ 264.00

Total 73 raw suppliers

Chemical Property of Brivanib alaninate

Chemical Property:

Appearance/Colour:White to off-white solid
PKA:16.08±0.30(Predicted)
PSA：116.76000
Density:1.42 g/cm³
LogP:4.11680
Solubility.:≥22.05 mg/mL in DMSO; insoluble in H2O; ≥10.03 mg/mL in EtOH
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:441.18123243
Heavy Atom Count:32
Complexity:660

Purity/Quality:

99%, ^*data from raw suppliers

BrivanibAlaninate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(C)OC(=O)C(C)N)C
Isomeric SMILES:CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C
Recent ClinicalTrials:Cetuximab With or Without Brivanib in Treating Patients With K-Ras Wild Type Tumours and Metastatic Colorectal Cancer
Recent EU Clinical Trials:A Randomized, Double-blind, Multicenter Phase III Study of Brivanib versus Placebo as Adjuvant Therapy to Trans-Arterial Chemo-Embolization (TACE) in Patients with
Uses A novel prodrug of dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 kinase inhibitor. BMS-582664 is an oral VEGFR/FGFR inhibitor for VEGFR2, Flk1, VEGFR1 and FGFR1 with IC50 of 25 nM, 89 nM, 380 nM and 148 nM, respectively.

Technology Process of Brivanib alaninate

There total 3 articles about Brivanib alaninate 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: 95.0%

: 649736-41-4
(S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-yl) 2-(benzyloxycarbonylamino)propanoate

: 649735-63-7
Brivanib alaninate

Guidance literature:: With ammonium formate; palladium on activated charcoal; In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1021/jm7013309

Reference yield:

: C₂₂H₂₃FN₄O₂

: 649735-63-7
Brivanib alaninate

Guidance literature:: Multi-step reaction with 4 steps

1: sodium methylate / acetonitrile; methanol / 1 h / 10 - 20 °C / Industrial scale

2: sodium methylate / acetonitrile; methanol; water / 24 h / 20 - 30 °C / Industrial scale

3: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; N,N-dimethyl-formamide / 3 h / -1 °C / Industrial scale

4: hydrogen; 5%-palladium/activated carbon / tetrahydrofuran / 6 h / 26 °C / 2311.54 Torr / Industrial scale

With dmap; 5%-palladium/activated carbon; hydrogen; sodium methylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/op500126u

Reference yield:

: C₁₇H₁₄FN₄O^(1-)*Na⁽¹⁺⁾

: 649735-63-7
Brivanib alaninate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium methylate / acetonitrile; methanol; water / 24 h / 20 - 30 °C / Industrial scale

2: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; N,N-dimethyl-formamide / 3 h / -1 °C / Industrial scale

3: hydrogen; 5%-palladium/activated carbon / tetrahydrofuran / 6 h / 26 °C / 2311.54 Torr / Industrial scale

With dmap; 5%-palladium/activated carbon; hydrogen; sodium methylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/op500126u