ChemicalBook > CAS DataBase List > Donafenib

Donafenib

Product Name: Donafenib
CAS No.: 1130115-44-4
Chemical Name: Donafenib
Synonyms: Donafenib;D3-Sorafenib;[2H3]-Sorafenib;Donafenib Tosylate;Donafenib (Sorafenib D3);Sorafenib-d3, 10 mM in DMSO;SORAFENIB D3 (BAY 43-9006 D3);Sorafenib Monomer-d3 (Donafenib-d3);Sorafenib (D3)|||Bay 43-9006 (D3)|||Sorafenib-d3;4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-(methyl-d3)picolinamide
CBNumber: CB42545752
Molecular Formula: C21H16ClF3N4O3
Formula Weight: 464.8249496
MOL File: 1130115-44-4.mol

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Donafenib Property

Melting point:: 202-204?C
storage temp.: -20°C Freezer
solubility: DMSO: soluble; Methanol: soluble
form: A solid
color: White to off-white
InChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N
SMILES: c1(Cl)ccc(NC(Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)=O)cc1C(F)(F)F

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: S676852
Product name: Sorafenib-d3
Packaging: 10mg
Price: $1135
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: RDL0006534
Product name: SORAFENIB-D3
Purity: 95.00%
Packaging: 10MG
Price: $2194.5
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: RDL0006534
Product name: SORAFENIB-D3
Purity: 95.00%
Packaging: 1MG
Price: $739.2
Updated: 2021/12/16

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Donafenib Chemical Properties,Usage,Production

Mechanism of action

Donafenib blocks the proliferation of tumor cells by inhibiting Raf kinase and VEGFR tyrosine kinase. The deuterated methyl group in donafenib improves the metabolic stability of the drug, resulting in a prolonged half-life, reduced systemic clearance, and increased systemic exposure. Donafenib has shown significantly improved overall survival compared to sorafenib in the treatment of patients with unresectable HCC, while having a favorable safety and tolerability profile.

Chemical Properties

Off-White to Light Pink Solid

Uses

Labelled Sorafenib, a potent RAF kinase inhibitor. Antineoplastic.

Synthesis

The synthetic route began with the amidation of methyl formate 31.2 using chloromethane-d3-amine (31.1) as a deuterium source to afford CD3-amide 31.3 in high yield (98%). Aminophenol 31.4 was reacted with 31.2 in dimethyl sulfoxide via a SNAr displacement reaction to afford diaryl ether 31.5. Finally, aniline was reacted with isocyanate 31.6 to synthesize donafenib (31) from 31.3 in 79% yield.

Donafenib Preparation Products And Raw materials

Raw materials

Preparation Products

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1130115-44-4, DonafenibRelated Search:

Sorafenib Impurity 35 Imidazole Sorafenib Related Compound 22 4-HYDROXYPHENYLFORMAMIDE Sorafenib Related Compound B 3-(Trifluoromethyl)phenyl isocyanate IFLAB-BB F2108-0089 4-(2-Aminophenoxy)-N-methylpicolinamide 1-(4-chloro-3-(trifluoromethyl)phenyl)urea 3-Amino-2-chlorobenzotrifluoride 1,4-Benzoquinoneimine 2-chloro-1-nitro-3-(trifluoromethyl)benzene Methyl 4-chloropicolinate 2-Pyridinecarboxamide,N-methyl-(9CI) 2-Chlorobenzotrifluoride 2-Chloro-5-nitrobenzotrifluoride Phenol, 4-(hydroxyamino)- Sorafenib Impurity 6

Donafenib Tosylate

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide

SORAFENIB D3 (BAY 43-9006 D3)

[2H3]-Sorafenib

Donafenib (Sorafenib D3)

4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-(methyl-d3)picolinamide

Sorafenib Monomer-d3 (Donafenib-d3)

Sorafenib (D3)|||Bay 43-9006 (D3)|||Sorafenib-d3

Sorafenib-d3, 10 mM in DMSO

Donafenib

D3-Sorafenib

1130115-44-4

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