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Eclitasertib

CAT: 0804-HY-114371-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114371-07Size:100 mg
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Description
Eclitasertib (DNL-758) is a potent receptor-interacting protein kinase 1 (RIPK1) inhibitor with an IC50 of 0.0375 µΜ[1].
CAS Number
2125450-76-0
Product Name Alternative
DNL-758; SAR-443122
UNSPSC
12352005
Target
RIP kinase
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/eclitasertib.html
Purity
99.77
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(C1=NN=C(CC2=CC=CC=C2)N1)N[C@@H]3C(N(C)C4=NC=CC=C4OC3)=O
Molecular Formula
C19H18N6O3
Molecular Weight
378.38
References & Citations
[1]Anthony A. ESTRADA, et al. Compounds, compositions and methods. WO2017136727A2.|[2]Darwish I, et al., Rip1k inhibitors. WO2021203011
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
RIPK1

Chemical Information

Eclitasertib

SAR443122, was investigated in several clinical trials to evaluate its safety and efficacy. NCT04469621 was studied in severe COVID-19 patients, while NCT05588843 is currently recruiting participants with ulcerative colitis. Additionally, NCT04781816, which was completed with results, focused on patients with cutaneous lupus erythematosus.

CAS Number2125450-76-0
PubChem CID130298939
IUPAC Name5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Molecular FormulaC19H18N6O3
Molecular Weight378.4
XLogP1.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
CN1C(=O)[C@H](COC2=C1N=CC=C2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C19H18N6O3/c1-25-17-14(8-5-9-20-17)28-11-13(19(25)27)21-18(26)16-22-15(23-24-16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,26)(H,22,23,24)/t13-/m0/s1
InChIKey
XUZICJHIIJCKQQ-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Eclitasertib
CAS: 2125450-76-0
CID: 130298939
Formula: C19H18N6O3
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass378.14403846
Monoisotopic Mass378.14403846
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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