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Bomedemstat

CAT: 1568-C14451-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14451-5mgSize:5 mg
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CAS Number
1990504-34-1
Synonyms
IMG-7289
Target
LSD1
Applications
Epigenetics
Molecular Formula
C28H34FN7O2
Additionnal Information
Bomedemstat (IMG-7289) is an orally active and irreversible inhibitor of LSD1 (lysine-specific demethylase 1) . Bomedemstat exhibits the ability to enhance methylation levels of H3K4 and H3K9, subsequently leading to modifications in gene expression. Bomedemstat demonstrates anti-cancer properties by restraining cancer cell proliferation and prompting apoptosis.

Chemical Information

Bomedemstat

Bomedemstat is an orally available, irreversible inhibitor of lysine-specific demethylase 1 (LSD1), with potential antineoplastic activity. Upon administration, bomedemstat binds to and inhibits LSD1, a demethylase that suppresses the expression of target genes by converting the di- and mono-methylated forms of lysine at position 4 of histone H3 (H3K4) to mono- and unmethylated H3K4. LSD1 inhibition enhances H3K4 methylation and increases the expression of tumor suppressor genes. In addition, LSD1 demethylates mono- or di-methylated H3K9 which increases gene expression of tumor promoting genes; thus, inhibition of LSD1 also promotes H3K9 methylation and decreases transcription of these genes. Altogether, this may lead to an inhibition of cell growth in LSD1-overexpressing tumor cells. LSD1, an enzyme belonging to the flavin adenine dinucleotide (FAD)-dependent amine oxidase family is overexpressed in certain tumor cells and plays a key role in the regulation of gene expression, tumor cell growth and survival.

CAS Number1990504-34-1
PubChem CID122460381
IUPAC NameN-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide
Molecular FormulaC28H34FN7O2
Molecular Weight519.6
XLogP2.3
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity779
SMILES
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)N5C=CN=N5
InChI
InChI=1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1
InChIKey
KQKBMHGOHXOHTD-KKUQBAQOSA-N
Chemical Structure
2D Structure
2D structure of Bomedemstat
CAS: 1990504-34-1
CID: 122460381
Formula: C28H34FN7O2
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass519.27580151
Monoisotopic Mass519.27580151
Topological Polar Surface Area95.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-109169-01Bomedemstat
HY-109169B-01Bomedemstat (hydrochloride)
HY-109169C-01Bomedemstat (dihydrochloride)
BUP03309-01Bomedemstat ditosylate
HY-109169A-01Bomedemstat (ditosylate)
T63935-01Bomedemstat hydrochloride
A24340-5Bomedemstat (IMG-7289) 5mg
A24340-100Bomedemstat (IMG-7289) 100mg
A24340-10Bomedemstat (IMG-7289) 10mg
A24340-50Bomedemstat (IMG-7289) 50mg

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