Compound Summary
Compound Information
Sorafenib
Compound Name: | Sorafenib |
Compound CID: | 216239 |
Synonyms: | Sorafenib 284461-73-0 Nexavar BAY 43-9006 4-4-({4-chloro-3-(trifluoromethyl)phenylcarbamoyl}amino)phenoxy-N-methylpyridine-2-carboxamide More... |
Iupac Name: | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide |
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 |
Canonical Smiles: | CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Isomeric 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 Weight: | 464.8 |
Molecular Formula: | C21H16ClF3N4O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Sorafenib
Molecular Weight: | 464.8 |
Molecular Formula: | C21H16ClF3N4O3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 32 |
Complexity: | 646 |
Synonyms
Sorafenib
| Sorafenib | Sorafenib |
|---|---|
Sorafenib |
284461-73-0 |
Nexavar |
BAY 43-9006 |
4-4-({4-chloro-3-(trifluoromethyl)phenylcarbamoyl}amino)phenoxy-N-methylpyridine-2-carboxamide |
4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE |
Sorafenib free base |
MnTMPyP pentachloride |
4-4-4-chloro-3-(trifluoromethyl)phenylcarbamoylaminophenoxy-N-methylpyridine-2-carboxamide |
UNII-9ZOQ3TZI87 |
4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide |
N-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea |
100012-18-8 |
284461-73-0 (free base) |
9ZOQ3TZI87 |
CHEMBL1336 |
4-4-4-chloro-3-(trifluoromethyl)phenylcarbamoylaminophenoxy-N-methyl-pyridine-2-carboxamide |
4-{4-({4-CHLORO-3-(TRIFLUOROMETHYL)PHENYLAMINO}CARBONYL)AMINOPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE |
DTXSID7041128 |
CHEBI:50924 |
MFCD06411450 |
4-4-4-chloro-3-(trifluoromethyl)phenylaminocarbonylaminophenoxy-N-methyl-2-pyridinecarboxamide |
BAY-43-9006 |
Sorafenib (Nexavar) |
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl- |
Donafenib (Sorafenib D3) |
sorafenibum |
2-Pyridinecarboxamide, 4-4-4-chloro-3-(trifluoromethyl)phenylaminocarbonylaminophenoxy-N-methyl- |
BAX |
Manganese(4+), chloro4,4,4,4-(21H,23H-porphine-5,10,15,20-tetrayl-kappaN21,kappaN22,kappaN23,kappaN24)tetrakis1-methylpyridiniumato(2-)-, chloride (1:4), (SP-5-12)- |
1210608-86-8 |
NSC-724772 |
BAY-54-9085 |
NCGC00167488-01 |
Sorafinib |
Sorafenib USAN:INN:BAN |
SR-00000000529 |
HSDB 8173 |
1uwh |
3gcs |
3heg |
4asd |
Hit compound, 8 |
Sorafenib, 4 |
BAY 439006 |
BAY43-9006 |
Kinome_766 |
SORAFENIB BASE |
Sorafenib (USAN/INN) |
Sorafenib-13C,d3 |
Nexavar (TN) (Bayer) |
EC 608-209-4 |
SCHEMBL8218 |
4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide |
BAY 43-9006; Sorafenib |
cid_216239 |
GTPL5711 |
QCR-65 |
BDBM16673 |
Nexavar|||BAY 43-9006 |
SYN1082 |
BCPP000064 |
HMS2043A18 |
HMS3244A15 |
HMS3244A16 |
HMS3244B15 |
HMS3656N20 |
K00597a |
ACT06732 |
AOB87782 |
BCP01767 |
BCP34023 |
EX-A2894 |
ZINC1493878 |
BAY439006 |
CS0056 |
NSC747971 |
NSC800934 |
s7397 |
STK627350 |
AKOS005560229 |
AC-1674 |
ACN-032355 |
CCG-269400 |
CS-1590 |
DB00398 |
MCULE-6112506696 |
NSC-747971 |
NSC-800934 |
PB14443 |
SB19942 |
SF-0529 |
BAY-43-0006 |
Sorafenib free base (BAY-43-9006) |
NCGC00167488-02 |
NCGC00167488-03 |
NCGC00167488-04 |
NCGC00167488-05 |
NCGC00167488-07 |
NCGC00167488-14 |
4(4-{3-4-Chloro-3-(trifluoromethyl)phenylureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide |
BS164413 |
HY-10201 |
N-(4-chloro-3-(trifluoromethyl)phenyl)-N-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea |
AB0019677 |
AM20090614 |
FT-0650736 |
FT-0674632 |
SW202562-4 |
D08524 |
J10391 |
15216-EP2272827A1 |
15216-EP2298778A1 |
15216-EP2311840A1 |
15216-EP2316832A1 |
15216-EP2316833A1 |
AB00933189-05 |
AB00933189-06 |
AB00933189_08 |
461S730 |
A819449 |
Q421136 |
Q-201728 |
SR-00000000529-1 |
BRD-K23984367-001-01-8 |
Z89277543 |
BAY 439006; BAY439006; BAY-439006 |
Sorafenib (D3); CM-4307; CM 4307; CM4307;Bay 43-9006 (D3) |
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido) phenoxy)-N-methylpicolinamide |
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido)phenoxy)-N-methylpicolinamide |
N-(3-trifluoromethyl-4-chlorophenyl)-N-(4-(2-methylcarbamoyl pyridin-4-yl)oxyphenyl)urea |
4-(4-{3-4-chloro-3-(trifluoromethyl)phenylureido}phenoxy)- N-methylpyridine-2-carboxamide |
4-(4-{3-4-Chloro-3-(trifluoromethyl)phenylureido}phenoxy)-N2-methylpyridine-2-carboxamide |
4-4-4-chloro-3-(trifluoromethyl)phenylcarbamoylaminophenoxy-N-methyl-picolinamide;tosylic acid |
4-{4-({4-chloro-3-(trifluoromethyl)phenylamino}carbonyl)-aminophenoxy}-N-methylpyridine-2-carboxamide |
4-{4-({4-chloro-3-(trifluoromethyl)phenylamino}carbonyl)aminophenoxy}-N-methyl-pyridine-2-carboxamide |
N-(4-chloro-3-(trifluoromethyl)phenyl)-N-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea" |
Experimental Data
Sorafenib
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 2.5 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 10 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 5 | umol/L | 0 | S | N2 | 32735859 | Active | ||||||
| Caenorhabditis elegans | 20 | umol/L | 0 | NS | N2 | 32735859 | Inactive |
Experimental Data Visualization
Sorafenib
Statistics Data
Sorafenib
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 4 |
Statistics Data Visualization
Sorafenib
