MedKoo Cat#: 465023 | Name: DDR1-IN-1 HCl
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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 HCl
DDR1-IN-1 HCl
CAS#1780303-76-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 465023

Name: DDR1-IN-1 HCl

CAS#: 1780303-76-5 (HCl)

Chemical Formula: C30H33Cl2F3N4O3

Exact Mass: 552.2348

Molecular Weight: 625.51

Elemental Analysis: C, 57.61; H, 5.32; Cl, 11.33; F, 9.11; N, 8.96; O, 7.67

Price and Availability

Size Price Availability Quantity
10mg USD 585.00 2 Weeks
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Synonym
DDR1-IN-1 HCl; DDR1-IN-1 hydrochloride; 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-yl)oxy)phenyl)-3-(trifluoromethyl)benzamide dihydrochloride
InChi Key
PBUOJKYQZINPKD-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H31F3N4O3.2ClH/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);2*1H
SMILES Code
O=C(NC1=CC=C(C)C(OC2=CC3=C(NC(C3)=O)C=C2)=C1)C4=CC=C(C(C(F)(F)F)=C4)CN5CCN(CC5)CC.[H]Cl.[H]Cl
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 625.51 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. ACS Chem Biol. 2013 Aug. DOI: 10.1021/cb400430t 2. https://graylab.dana-farber.org/probes.html