MedKoo Cat#: 407343 | Name: DDR1-IN-1
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

DDR1-IN-1 is a potent and selective DDR1 inhibitor with IC50 of 105 nM, about 3-fold selectivity over DDR2. DDR1-IN-1 binds to DDR1 in the 'DFG-out' conformation and inhibits DDR1 autophosphorylation in cells at submicromolar concentrations with good selectivity as assessed against a panel of 451 kinases measured. DDR1-IN-1 provides a useful pharmacological probe for DDR1-dependent signal transduction. The DDR1 receptor tyrosine kinase is activated by matrix collagens and has been implicated in numerous cellular functions such as proliferation, differentiation, adhesion, migration, and invasion.

Chemical Structure

DDR1-IN-1
DDR1-IN-1
CAS#1449685-96-4 (free base)

Theoretical Analysis

MedKoo Cat#: 407343

Name: DDR1-IN-1

CAS#: 1449685-96-4 (free base)

Chemical Formula: C30H31F3N4O3

Exact Mass: 552.2348

Molecular Weight: 552.60

Elemental Analysis: C, 65.21; H, 5.65; F, 10.31; N, 10.14; O, 8.69

Price and Availability

Size Price Availability Quantity
10mg USD 120.00 Ready to ship
25mg USD 190.00 Ready to ship
50mg USD 350.00 Ready to ship
100mg USD 550.00 Ready to ship
200mg USD 950.00 Ready to ship
500mg USD 1,550.00 Ready to ship
1g USD 2,650.00 2 weeks
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Synonym
DDR1-IN-1; DDR1-IN 1; DDR1-IN1; DDR-IN-1; DDRIN1; DDR IN 1; DDR1 inhibitor;
IUPAC/Chemical Name
4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2-oxoindolin-5-yloxy)phenyl)-3-(trifluoromethyl)benzamide
InChi Key
AOZPVMOOEJAZGK-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)
SMILES Code
FC(C1=CC(C(NC2=CC=C(C(OC3=CC(C4)=C(C=C3)NC4=O)=C2)C)=O)=CC=C1CN5CCN(CC)CC5)(F)F
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, not in water
Shelf Life
>2 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 552.60 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
1: Canning P, Tan L, Chu K, Lee SW, Gray NS, Bullock AN. Structural mechanisms determining inhibition of the collagen receptor DDR1 by selective and multi-targeted type II kinase inhibitors. J Mol Biol. 2014 Jun 26;426(13):2457-70. doi: 10.1016/j.jmb.2014.04.014. Epub 2014 Apr 23. PubMed PMID: 24768818; PubMed Central PMCID: PMC4058747. 2: Kim HG, Tan L, Weisberg EL, Liu F, Canning P, Choi HG, Ezell SA, Wu H, Zhao Z, Wang J, Mandinova A, Griffin JD, Bullock AN, Liu Q, Lee SW, Gray NS. Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor. ACS Chem Biol. 2013 Oct 18;8(10):2145-50. doi: 10.1021/cb400430t. Epub 2013 Aug 13. Erratum in: ACS Chem Biol. 2014 Mar 21;9(3):840. PubMed PMID: 23899692; PubMed Central PMCID: PMC3800496.