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Nintedanib-[d3]

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General Information
Catalog: BLP-013784
CAS: 1624587-84-3
Molecular Formula: C31H30D3N5O4
Molecular Weight: 542.64

Chemical Structure

Description	Nintedanib-[d3] is the labelled analogue of Nintedanib, which is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFRα/β. It is used for the treatment of pulmonary fibrosis, systemic sclerosis-associated interstitial lung disease, and non-small cell lung cancer (NSCLC).
Synonyms	Nintedanib D3; (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-H-Indole-6-carboxylic Acid Methyl Ester-d3; BIBF 1120-d3; Ofev-d3; Vargatef-d3; Nintedanib-d3
IUPAC Name	methyl 2-hydroxy-3-[N-[4-[methyl-[2-[4-(trideuteriomethyl)piperazin-1-yl]acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Related CAS	656247-17-5 (unlabelled)
Canonical SMILES	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
InChI	InChI=1S/C31H33N5O4/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/h4-14,19,33,38H,15-18,20H2,1-3H3/i1D3
InChI Key	CPMDPSXJELVGJG-FIBGUPNXSA-N
Melting Point	>232°C (dec.)
Purity	≥97%; ≥99% atom D
Solubility	Soluble in DMSO (Sparingly), Methanol (Slightly, Heated)
Appearance	Light Yellow to Yellow Solid
Storage	Store at 2-8°C