WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555468
CAS#: 334951-90-5
Description: BIBF0775 is an inhibitor of the transforming growth factor β receptor I (TGFβRI). X-ray structure analysis showed that BIBF0775 soaked into the kinase domain of TGFβRI.
MedKoo Cat#: 555468
Name: BIBF0775
CAS#: 334951-90-5
Chemical Formula: C31H34N4O2
Exact Mass: 494.2682
Molecular Weight: 494.639
Elemental Analysis: C, 75.28; H, 6.93; N, 11.33; O, 6.47
Synonym: BIBF0775; BIBF-0775; BIBF 0775;
IUPAC/Chemical Name: (3Z)-N-Ethyl-2,3-dihydro-N-methyl-2-oxo-3-[phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-1H-indole-6-carboxamide
InChi Key: MUSRTIADFPCYTQ-ZIADKAODSA-N
InChi Code: InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,32H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)/b29-28-
SMILES Code: O=C(C1=CC(NC/2=O)=C(C=C1)C2=C(C3=CC=CC=C3)\NC4=CC=C(CN5CCCCC5)C=C4)N(CC)C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 38.25 | 77.33 | |
| Ethanol | 2.0 | 4.04 |
The following data is based on the product molecular weight 494.639 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Roth GJ, Heckel A, Brandl T, Grauert M, Hoerer S, Kley JT, Schnapp G, Baum P,
Mennerich D, Schnapp A, Park JE. Design, synthesis, and evaluation of indolinones
as inhibitors of the transforming growth factor β receptor I (TGFβRI). J Med
Chem. 2010 Oct 28;53(20):7287-95. doi: 10.1021/jm100812a. PubMed PMID: 20919678.
Inhibition of transforming growth factor β (TGFβ) type I receptor (Alk5) offers a novel approach for the treatment of fibrotic diseases and cancer.
