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LSD1/HDAC-IN-2

CAT: 0804-HY-169938Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169938Size:1 Each
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Description
LSD1/HDAC-IN-2 (Compound 20c) is the inhibitor for LSD and HDAC, that inhibits LSD1, HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8, with IC50s of 39.0, 1.4, 1.0, 1.3, 2.9 and 16.0 nM, respectively. LSD1/HDAC-IN-2 inhibits the proliferation of cancer cells, especially the colorectal cancer cells. LSD1/HDAC-IN-2 arrests the cell cycle at G2/M phase, inhibits cell migration, and induces apoptosis in HCT-116 and HT-29 cells. LSD1/HDAC-IN-2 exhibits antitumor efficacy in mouse model without significant toxicity[1].
CAS Number
2966782-82-9
UNSPSC
12352005
Target
Apoptosis; HDAC; Histone Demethylase
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lsd1-hdac-in-2.html
Smiles
NC1=C(C)C(C2=CN(CCCCCCC(NO)=O)C3=C2C=C(C#N)C=C3)=CC=C1
Molecular Formula
C23H26N4O2
Molecular Weight
390.48
References & Citations
[1]Zhu HJ, et al., Discovery of Novel 5-Cyano-3-phenylindole-Based LSD1/HDAC Dual Inhibitors for Colorectal Cancer Treatment. J Med Chem. 2024 Nov 28;67 (22) :20172-20202.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC2; HDAC3; HDAC6; HDAC8; KDM1/LSD1

Chemical Information

7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
CAS Number2966782-82-9
PubChem CID175529779
IUPAC Name7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
Molecular FormulaC23H26N4O2
Molecular Weight390.5
XLogP3.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity589
SMILES
CC1=C(C=CC=C1N)C2=CN(C3=C2C=C(C=C3)C#N)CCCCCCC(=O)NO
InChI
InChI=1S/C23H26N4O2/c1-16-18(7-6-8-21(16)25)20-15-27(12-5-3-2-4-9-23(28)26-29)22-11-10-17(14-24)13-19(20)22/h6-8,10-11,13,15,29H,2-5,9,12,25H2,1H3,(H,26,28)
InChIKey
LNLXAUFPSKCDLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
CAS: 2966782-82-9
CID: 175529779
Formula: C23H26N4O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass390.20557608
Monoisotopic Mass390.20557608
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity589
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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