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DDR1-IN-1 - 95%, high purity , CAS No.1449685-96-4, Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2

  • Moligand™
  • ≥95%
Item Number
D413763
Grouped product items
SKUSizeAvailabilityPrice Qty
D413763-5mg
5mg
In stock
$97.90
D413763-10mg
10mg
In stock
$151.90
D413763-25mg
25mg
In stock
$342.90
D413763-50mg
50mg
In stock
$380.90
D413763-100mg
100mg
In stock
$597.90
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DDR Inhibitors

View related series
discoidin domain receptor tyrosine kinase 1 Inhibitor discoidin domain receptor tyrosine kinase 2 Inhibitor

Basic Description

SynonymsDDR1-IN-1|1449685-96-4|4-[(4-Ethylpiperazin-1-Yl)methyl]-N-{4-Methyl-3-[(2-Oxo-2,3-Dihydro-1h-Indol-5-Yl)oxy]phenyl}-3-(Trifluoromethyl)benzamide|DDR-IN-1|4-((4-Ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2-oxoindolin-5-yloxy)phenyl)-3-(trifluoromethyl)ben
Specifications & PurityMoligand™, ≥95%
Biochemical and Physiological MechanismsDDR1-IN-1 is a potent and selective discoidin domain receptor 1 (DDR1) receptor tyrosine kinase inhibitor with IC50 of 105 nM, about 3-fold selectivity over DDR2.
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2

Product Properties

ALogP4.972
HBD Count2
Rotatable Bond8

Associated Targets

DDR2 Tchem Discoidin domain-containing receptor 2 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

DDR1 Tchem Epithelial discoidin domain-containing receptor 1 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

HDAC6 Tclin Histone deacetylase 6 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name 4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
INCHI 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)
InChi Key AOZPVMOOEJAZGK-UHFFFAOYSA-N
Canonical SMILES CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F
Isomeric SMILES CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F
PubChem CID 72836888
Molecular Weight 552.59

Certificates

Certificate of Analysis(COA)

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10 results found

Lot NumberCertificate TypeDateItem
F2302120Certificate of AnalysisMar 27, 2023 D413763
F2302121Certificate of AnalysisMar 27, 2023 D413763
F2302124Certificate of AnalysisMar 27, 2023 D413763
F2302126Certificate of AnalysisMar 27, 2023 D413763
F2302127Certificate of AnalysisMar 27, 2023 D413763
F2302128Certificate of AnalysisMar 27, 2023 D413763
F2302129Certificate of AnalysisMar 27, 2023 D413763
F2302130Certificate of AnalysisMar 27, 2023 D413763
F2302131Certificate of AnalysisMar 27, 2023 D413763
F2302132Certificate of AnalysisMar 27, 2023 D413763

Chemical and Physical Properties

SolubilitySolubility (25°C) In vitro DMSO: 100 mg/mL warmed with 50ºC Water: bath (180.96 mM); Ethanol: 4 mg/mL warmed with 50ºC Water: bath (7.23 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility100
DMSO(mM) Max Solubility180.9659965
Water(mg / mL) Max Solubility＜1

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H413:May cause long lasting harmful effects to aquatic life

H302:Harmful if swallowed

Precautionary Statements

P273:Avoid release to the environment.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P270:Do not eat, drink or smoke when using this product.

P330:Rinse mouth.

P301+P317:IF SWALLOWED: Get medical help.

Related Documents

 SDS

 Specification Sheet

Alternative Products

  1. DDR1-IN-1 - 10mM in DMSO, used for , CAS No. 1449685-96-4, by Aladdin Scientific
    DDR1-IN-1

    Starting at $667.90

  2. DDR1-IN-1 dihydrochloride
    DDR1-IN-1 dihydrochloride

    Starting at $143.90

References

1. Kim HG, Tan L, Weisberg EL, Liu F, Canning P, Choi HG, Ezell SA, Wu H, Zhao Z, Wang J et al..  (2013)  Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor..  ACS Chem Biol,  8  (10): (2145-50).  [PMID:23899692]

Solution Calculators

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