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656247-18-6

656247-18-6 structure
656247-18-6 structure
  • Name: Nintedanib Ethanesulfonate Salt
  • Chemical Name: nintedanib esylate
  • CAS Number: 656247-18-6
  • Molecular Formula: C33H39N5O7S
  • Molecular Weight: 649.757
  • Catalog: Organic raw materials Amino compound Sulfonic acid amino compound
  • Create Date: 2018-06-08 23:03:52
  • Modify Date: 2024-01-02 10:13:59
  • Nintedanib esylate (BIBF 1120 esylate) is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFRα/β with IC50s of 34 nM/13 nM/13 nM, 69 nM/37 nM/108 nM and 59 nM/65 nM, respectively.
Name nintedanib esylate
Synonyms 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate salt
3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-ethylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate
UNII:42F62RTZ4G
methyl (3S,5R)-3,5-di[(tert-butyldimethylsilyl)oxy]-1-hydroxy-cyclohexanecarboxylate
nintedanib ethanesulfonate salt
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-pipe razinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indo linecarboxylate (1:1)
Nintedanib ethanesulfonate
(3S,5S)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-cyclohexanecarboxylic Acid Methyl Ester
1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-, compd. with ethanesulfonic acid (1:1)
methyl (3S,5S)-3,5-bis[tert-butyl(dimethyl)silyloxy]-1-hydroxy-cyclohexanecarboxylate
3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulfonate
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1)
Vargatef
3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone monoethanesulphonate
Methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate
methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate salt
BIBF 1120 esylate
BIBF 1120 (esylate)
Description Nintedanib esylate (BIBF 1120 esylate) is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFRα/β with IC50s of 34 nM/13 nM/13 nM, 69 nM/37 nM/108 nM and 59 nM/65 nM, respectively.
Related Catalog
Target

VEGFR1:34 nM (IC50)

VEGFR2:13 nM (IC50)

VEGFR3:13 nM (IC50)

FGFR1:69 nM (IC50)

FGFR2:37 nM (IC50)

FGFR3:108 nM (IC50)

PDGFRα:59 nM (IC50)

PDGFRβ:65 nM (IC50)

In Vitro Nintedanib (BIBF 1120) binds to the ATP-binding site in the cleft between the amino and carboxy terminal lobes of the kinase domain. Nintedanib (BIBF 1120) inhibits proliferation of PDGF-BB stimulated BRPs with EC50 of 79 nM in cell assays. Nintedanib (BIBF 1120) (100 nM) blocks activation of MAPK after stimulation with 5% serum plus PDGF-BB. Nintedanib (BIBF 1120) prevents PDGF-BB stimulated proliferation with an EC50 of 69 nM in cultures of human vascular smooth muscle cells (HUASMC)[1].
In Vivo Nintedanib (BIBF 1120) (25-100 mg/kg daily p.o.) is highly active in all tumor models, including human tumor xenografts growing in nude mice and a syngeneic rat tumor model. This is evident in the magnetic resonance imaging of tumor perfusion after 3 days, reducing vessel density and vessel integrity after 5 days, and profound growth inhibition[1]. Nintedanib (BIBF 1120) is orally available and displays encouraging efficacy in in vivo tumor models while being well tolerated[2].
Animal Admin Five-week-old to 6-wk-old athymic NMRI-nu/nu female mice (21-31 g) are used for the assay. After acclimatization, mice are inoculated with 1 to 5×106 (in 100 μL) FaDu, Caki-1, SKOV-3, H460, HT-29, or PAC-120 cells s.c. into the right flank of the animal. After acclimatization, F344 Fischer rats are injected with 5×106 (in 100 μL) GS-9L cells s.c. into the right flank of the animal. For pharmacokinetic analysis, blood is isolated at indicated time points from the retroorbital plexus of mice and plasma is analyzed using high performance liquid chromatography-mass spectrometry methodology[1].
References

[1]. Hilberg F, et al. BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res, 2008, 68(12), 4774-4782.

[2]. Roth GJ, et al. Design, synthesis, and evaluation of indolinones as triple angiokinase inhibitors and the discovery of a highly specific 6-methoxycarbonyl-substituted indolinone (BIBF 1120). J Med Chem, 2009, 52(14), 4466-4480.

[3]. Suzuki N, et al. Effect of a novel oral chemotherapeutic agent containing a combination of trifluridine, tipiracil and the novel triple angiokinase inhibitor nintedanib, on human colorectal cancer xenografts. Oncol Rep. 2016 Dec;36(6):3123-3130.
Molecular Formula C33H39N5O7S
Molecular Weight 649.757
Exact Mass 649.257019
PSA 160.46000
LogP 4.62470
Storage condition -20℃
656247-17-5 structure

656247-17-5

594-45-6 structure

594-45-6

~96%

656247-18-6 structure

656247-18-6

Literature: BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2009/71523 A1, 2009 ; Location in patent: Page/Page column 4; 25-27 ;
Precursor  2

DownStream  0


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title: CAS No. 656247-18-6 | Chemsrc address: https://m.chemsrc.com/en/baike/524973.html

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