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DW71177

CAT: 0804-HY-162088-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162088-07Size:500 mg
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Description
DW71177 is a novel [1,2,4]triazolo[4,3-a] quinoxaline-based potent and BD1-Selective BET inhibitor, and can be used for study of acute myeloid leukemia[1].
CAS Number
2241311-72-6
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dw71177.html
Purity
97.70
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1=NN=C2C(NCCCCNC(CC(C)C)=O)=NC3=CC(OC)=CC=C3N21
Molecular Formula
C20H28N6O2
Molecular Weight
384.48
References & Citations
[1]Ali I, et al. DW71177: A novel [1,2,4]triazolo[4,3-a]quinoxaline-based potent and BD1-Selective BET inhibitor for the treatment of acute myeloid leukemia. Eur J Med Chem. Published online December 16, 2023.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
CAS Number2241311-72-6
PubChem CID135276440
IUPAC NameN-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
Molecular FormulaC20H28N6O2
Molecular Weight384.5
XLogP3.5
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)CC(C)C
InChI
InChI=1S/C20H28N6O2/c1-13(2)11-18(27)21-9-5-6-10-22-19-20-25-24-14(3)26(20)17-8-7-15(28-4)12-16(17)23-19/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,21,27)(H,22,23)
InChIKey
NAPOLFVZKFHOBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
CAS: 2241311-72-6
CID: 135276440
Formula: C20H28N6O2
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass384.22737416
Monoisotopic Mass384.22737416
Topological Polar Surface Area93.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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