Cobimetinib (R-enantiomer)

Base Information

Chemical Name:Cobimetinib (R-enantiomer)
CAS No.:934660-94-3
Molecular Formula:C21H21F3IN3O2
Molecular Weight:531.316
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70585319
Wikidata:Q82477239
Mol file:934660-94-3.mol

Synonyms:Cobimetinib (R-enantiomer);934660-94-3;Cobimetinib R-enantiomer;Cobimetinib(GDC-0973;XL518);[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanone;GDC-0973 R-enantiomer;BSMCAPRUBJMWDF-QGZVFWFLSA-N;XL-518 R-enantiomer;SCHEMBL188704;DTXSID70585319;NSC768069;AKOS030527016;NSC-768069;NCGC00346455-01;HY-13079;[3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone;{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone;1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-[(2R)-piperidin-2-yl]azetidin-3-ol;VKD

Suppliers and Price of Cobimetinib (R-enantiomer)

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
(R)-XL518
25mg
$ 10725.00

DC Chemicals
CobimetinibR-enantiomer >98%
10 mg
$ 1380.00

DC Chemicals
CobimetinibR-enantiomer >98%
5 mg
$ 878.00

Crysdot
CobimetinibR-enantiomer 98+%
5mg
$ 700.00

ChemScene
CobimetinibR-enantiomer
5mg
$ 1200.00

Biosynth Carbosynth
(R)-Cobimetinib
10 mg
$ 450.00

Biosynth Carbosynth
(R)-Cobimetinib
5 mg
$ 280.00

Biosynth Carbosynth
(R)-Cobimetinib
2 mg
$ 140.00

Biosynth Carbosynth
(R)-Cobimetinib
1 mg
$ 87.50

Biosynth Carbosynth
(R)-Cobimetinib
25 mg
$ 900.00

Total 10 raw suppliers

Chemical Property of Cobimetinib (R-enantiomer)

Chemical Property:

Boiling Point:565.9±50.0 °C(Predicted)
PKA:13.13±0.20(Predicted)
PSA：64.60000
Density:1.706±0.06 g/cm3(Predicted)
LogP:4.12080
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:531.06306
Heavy Atom Count:30
Complexity:624

Purity/Quality:

97% ^*data from raw suppliers

(R)-XL518 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
Isomeric SMILES:C1CCN[C@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
Uses The (R)-enantiomer of the MEK1 inhibitor XL518 (X746250).

Technology Process of Cobimetinib (R-enantiomer)

There total 4 articles about Cobimetinib (R-enantiomer) 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: 94.0%

: 934660-67-0
1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl]-3-azetidinone

: (R)-2-iodopiperidine

: 934660-94-3,934660-93-2
cobimetinib

Guidance literature:: With ammonium chloride; zinc; In tetrahydrofuran; water; at 20 ℃; for 9h; Inert atmosphere;

Reference yield:

: 934665-56-2
tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate

: 934660-94-3,934660-93-2
cobimetinib

Guidance literature:: tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate; With hydrogenchloride; methanol; In 1,4-dioxane; at 20 ℃; for 1h;

With sodium hydrogencarbonate; In chloroform; water;