BIBF0775
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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.


Chemical Structure

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BIBF0775
CAS# 334951-90-5

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
50.0mg USD 650.0 2 weeks
100.0mg USD 1050.0 2 weeks
200.0mg USD 1750.0 2 weeks
500.0mg USD 2650.0 2 weeks
1.0g USD 3650.0 2 weeks
2.0g USD 5450.0 2 weeks
5.0g USD 8950.0 2 weeks
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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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 38.25 77.33
Ethanol 2.0 4.04

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.

BIBF0775

50.0mg / USD 650.0


Additional Information

Inhibition of transforming growth factor β (TGFβ) type I receptor (Alk5) offers a novel approach for the treatment of fibrotic diseases and cancer.