Regorafenib

Molecular Mass: 482.8 g/mol

Formula: C₂₁H₁₅ClF₄N₄O₃

Smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1

Synonymes:

Regorafenib, 755037-03-7, BAY 73-4506, Stivarga, Regorafenibum, BAY73-4506, BAY-73-4506, 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, REGORAFENIB ANHYDROUS, 24T2A1DOYB, Bay-734506, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, BAY-734506 monohydrate, BAY 73-4506 monohydrate, CHEBI:68647, DTXSID60226441, BAY-73-4506 MONOHYDRATE, 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)-3-fluorophenoxy)-n-methylpyridine-2-carboxamide, 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide, 4-(4-((4-chloro-3-(trifluoromethyl)phenyl)carbamoylamino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide, RefChem:57911, DTXCID60148932, L01XE21, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)-3-fluorophenoxy)-N-methyl-, hydrate (1:1), MGN125FS9D, 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide, Regorafenib (BAY 73-4506), C21H15ClF4N4O3, MFCD16038047, 2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, CHEMBL1946170, 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide, Stivarga (TN), 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-pyridine-2-carboxamide, Regorafenib [INN], Regorafenib [USAN:INN], UNII-24T2A1DOYB, Regorafenib (Standard), REGORAFENIB [MI], Regorafenib (USAN/INN), REGORAFENIB [VANDF], BAY73-4506 hydrochloride, REGORAFENIB [WHO-DD], MLS006010303, Regorafenib crystalline form I, SCHEMBL432230, Regorafenib,BAY 73-4506, GTPL5891, orb1307437, orb3141308, SCHEMBL29349808, SCHEMBL29351376, EX-A058, GLXC-90063, HMS3654K16, HMS3672E15, HMS5079O11, BDBM50363397, EBC-11382, HY-10331R, NSC763932, NSC800865, s1178, AKOS015951107, CCG-269571, CS-0170, DB08896, FR16116, NSC-763932, NSC-800865, SB16819, SDCCGSBI-0654355.P001, NCGC00263138-01, NCGC00263138-13, NCGC00263138-19, AC-25075, AC-31116, AS-16304, BP-44042, HY-10331, Regorafenib for FP system suitability CRS, SMR004701370, NS00040710, R0142, SW218097-2, cas:835621-07-3, Regorafenib hydrochloride, Regorafenib (BAY73-4506,Fluoro-Sorafenib), D10138, Regorafenib (BAY73-4506,Fluoro-Sorafenib)?, AB01565826_02, F361865, SR-01000941571, Q3891664, SR-01000941571-1, BRD-K16730910-001-02-4, BRD-K16730910-001-07-3, Z2235801830, 4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide, 4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	278.15	-	4.599	[149]
1-Propanol	283.15	-	5.02	[149]
1-Propanol	288.15	-	5.285	[149]
1-Propanol	293.15	-	5.867	[149]
1-Propanol	298.15	-	6.37	[149]
1-Propanol	303.15	-	7.686	[149]
1-Propanol	308.15	-	9.368	[149]
1-Propanol	313.15	-	10.89	[149]
Acetone	278.15	-	9.41	[149]
Acetone	283.15	-	11.53	[149]
Acetone	288.15	-	13.23	[149]
Acetone	293.15	-	16.27	[149]
Acetone	298.15	-	21.16	[149]
Acetone	303.15	-	24.34	[149]
Acetone	308.15	-	28.62	[149]
Acetone	313.15	-	33.72	[149]
Acetonitrile	278.15	-	1.32	[149]
Acetonitrile	283.15	-	1.512	[149]
Acetonitrile	288.15	-	1.557	[149]
Acetonitrile	293.15	-	1.868	[149]
Acetonitrile	298.15	-	2.266	[149]
Acetonitrile	303.15	-	2.713	[149]
Acetonitrile	308.15	-	3.433	[149]
Acetonitrile	313.15	-	4.402	[149]
Ethanol	278.15	-	5.395	[149]
Ethanol	283.15	-	5.663	[149]
Ethanol	288.15	-	6.148	[149]
Ethanol	293.15	-	7.164	[149]
Ethanol	298.15	-	7.506	[149]
Ethanol	303.15	-	9.028	[149]
Ethanol	308.15	-	10.27	[149]
Ethanol	313.15	-	11.78	[149]
Isopropanol	278.15	-	4.218	[149]
Isopropanol	283.15	-	4.336	[149]
Isopropanol	288.15	-	4.433	[149]
Isopropanol	293.15	-	4.857	[149]
Isopropanol	298.15	-	5.766	[149]
Isopropanol	303.15	-	6.811	[149]
Isopropanol	308.15	-	8.492	[149]
Isopropanol	313.15	-	9.927	[149]
Methanol	278.15	-	3.823	[149]
Methanol	283.15	-	4.234	[149]
Methanol	288.15	-	4.92	[149]
Methanol	293.15	-	5.032	[149]
Methanol	298.15	-	5.631	[149]
Methanol	303.15	-	6.847	[149]
Methanol	308.15	-	8.071	[149]
Methanol	313.15	-	9.28	[149]

Molecule 3D descriptors

Descriptor	Value
PMI1	2347.5815
PMI2	15259.3487
PMI3	15910.1395
NPR1	0.1476
NPR2	0.9591
RadiusOfGyration	5.8915
InertialShapeFactor	0.0004
Eccentricity	0.9891
Asphericity	0.6250
SpherocityIndex	0.1984
PBF	1.2695