SML3780

Nintedanib ethanesulphonate

≥98% (HPLC)

• Synonym(s): (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic acid methyl ester, monoethanesulphonate salt, (Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino}phenylamino)methylene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester, monoethanesulphonate salt, BIBF 1120 esylat, BIBF-1120 esylate, BIBF1120 esylate, Methyl (Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate, monoethanesulphonate salt, Nintedanib monoethanesulphonate salt
• Empirical Formula (Hill Notation): C₃₁H₃₃N₅O₄·C₂H₆O₃S
• CAS Number: 656247-18-6
• Molecular Weight: 649.76
• MDL number: MFCD26142360
• UNSPSC Code: 12352200
• NACRES: NA.21

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear (Warmed)
• storage temp.: -10 to -25°C
• SMILES string: [S](=O)(=O)(O)CC.N5(CCN(CC5)C)CC(=O)N(C)c1ccc(cc1)N\C(=C3\c4c(cc(cc4)C(=O)OC)NC\3=O)\c2ccccc2
• InChI: 1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;
• InChI key: MMMVNAGRWOJNMW-FJBFXRHMSA-N

Description

Biochem/physiol Actions

Nintedanib (BIBF1120) is an orally active, potent ATP-competitive inhibitor against angiokinases VEGFR-1/2/3 (IC50 = 34/21/13 nM), FGFR-1/2/3/4 (IC50 = 69/37/108/610 nM), PDGFRα/β (IC50 = 59/65 nM), as well as Flt-3, Lck, Lyn, and Src (IC50 = 26, 16, 195, 156 nM, repectively), but not 33 other kinases. Nintedanib exhibits antiangiogenic and antifibrotic efficacy in cultures and in animal models of cancers and pulmonary fibrosis in vivo.

Orally active, potent ATP-competitive VEGFR, FGFR, PDGFR, Flt3, Lck, Lyn, Src inhibitor with in vivo antiangiogenic and antifibrotic efficacy.

Caution

Hygroscopic

Safety Information

• pictograms: GHS08,GHS09
• signalword: Danger
• hcodes: H360D,H372,H411
• pcodes: P202 - P260 - P264 - P273 - P280 - P308 + P313
• Hazard Classifications: Aquatic Chronic 2 - Repr. 1B - STOT RE 1
• target_organs: Liver,Gastro-intestinal system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable