Donafenib (Sorafenib D3)

CAT: 1568-C14368-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C14368-5mgSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1130115-44-4

Synonyms

Bay 43-9006 D3, CM-4307

Target

Raf

Applications

MAPK

Smiles

CNC (=O) C1=NC=CC (=C1) OC2=CC=C (C=C2) NC (=O) NC3=CC (=C (C=C3) Cl) C (F) (F) F

Molecular Formula

C21H13D3ClF3N4O3

Additionnal Information

Donafenib (Sorafenib D3, Bay 43-9006 D3, CM-4307) is the deuterium labeled Sorafenib. Sorafenib is a multikinase inhibitor IC50s of 6 nM, 15 nM, 20 nM and 22 nM for Raf-1, mVEGFR-2, mVEGFR-3 and B-RAF, respectively.

Storage Conditions

3 years -20°C powder

Chemical Information

Donafenib

CM-4307 is under investigation in clinical trial NCT03602495 (Donafenib in 131I-Refractory Differentiated Thyroid Cancer).

CAS Number	1130115-44-4
PubChem CID	25191001
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
Molecular Formula	C21H16ClF3N4O3
Molecular Weight	467.8
XLogP	4.1
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	646

SMILES

[2H]C([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

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)/i1D3

InChIKey

MLDQJTXFUGDVEO-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1130115-44-4

CID: 25191001

Formula: C21H16ClF3N4O3

MW: 467.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.8
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	467.1051328
Monoisotopic Mass	467.1051328
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	646
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
S9621-25mg	Donafenib (Sorafenib D3)
A21489-100	Donafenib (Sorafenib D3) 100mg
A21489-10	Donafenib (Sorafenib D3) 10mg
A21489-50	Donafenib (Sorafenib D3) 50mg
A21489-25	Donafenib (Sorafenib D3) 25mg
A21489-5	Donafenib (Sorafenib D3) 5mg
A21489-1	Donafenib (Sorafenib D3) 1mg
A21489-10mM-D	Donafenib (Sorafenib D3) 10mM * 1mL in DMSO
T16909-01	Donafenib
TRC-S676850-50MG	Sorafenib

Donafenib (Sorafenib D3)

Chemical Information

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