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LSD1/EGFR-IN-1

CAT: 0013-GTR19250197-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250197-01Size:10 mg
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Description
LSD1/EGFR-IN-1 (L-1) is a multi-target inhibitor effective against LSD1 and EGFR mutants, including T790M/L858R and L858R/T790M/C797S. It serves as a valuable chemical probe for studying resistance mechanisms in non-small cell lung cancer (NSCLC) in biochemical and cellular assays.
CAS Number
336171-65-4
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Metabolism Research; Cell Biology, Signal Transduction
Smiles
O=C1NC (=O) N (C (=O) C1=CC2=CC=C (C=C2O) N (CC) CC) C3=CC=C (Cl) C=C3
Molecular Formula
C21H20ClN3O4
Molecular Weight
413.854
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Chlorophenyl)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CAS Number336171-65-4
PubChem CID6843017
IUPAC Name1-(4-chlorophenyl)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
Molecular FormulaC21H20ClN3O4
Molecular Weight413.9
XLogP3.8
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity671
SMILES
CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H20ClN3O4/c1-3-24(4-2)16-8-5-13(18(26)12-16)11-17-19(27)23-21(29)25(20(17)28)15-9-6-14(22)7-10-15/h5-12,26H,3-4H2,1-2H3,(H,23,27,29)
InChIKey
IUURHHZNXXUCKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophenyl)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CAS: 336171-65-4
CID: 6843017
Formula: C21H20ClN3O4
MW: 413.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.9
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass413.1142338
Monoisotopic Mass413.1142338
Topological Polar Surface Area90 Ų
Heavy Atom Count29
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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