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Bomedemstat

CAT: 0804-HY-109169-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109169-02Size:10 mg
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Description
Bomedemstat (IMG-7289) is an orally active and irreversible lysine-specific demethylase 1 (LSD1) inhibitor. Bomedemstat can increase H3K4 and H3K9 methylation, and then alter gene expression. Bomedemstat shows anti-cancer activities, inhibits cancer cell proliferation and induces apoptosis[1][2].
CAS Number
1990504-34-1
Product Name Alternative
IMG-7289
UNSPSC
12352005
Target
Apoptosis; Histone Demethylase
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bomedemstat.html
Purity
99.55
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N1CCN(CC1)C)[C@@H](NC(C2=CC=C(N3C=CN=N3)C=C2)=O)CCCN[C@H]4[C@@](C5=CC=C(C=C5)F)([H])C4
Molecular Formula
C28H34FN7O2
Molecular Weight
519.61
References & Citations
[1]Jonas S Jutzi, et al. LSD1 Inhibition Prolongs Survival in Mouse Models of MPN by Selectively Targeting the Disease Clone. Hemasphere.2018 Jun 8;2 (3) :e54. |[2]Yuan Fang, et al. LSD1/KDM1A inhibitors in clinical trials: advances and prospects. J Hematol Oncol. 2019 Dec 4;12 (1) :129.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
KDM1/LSD1

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
C14451-01Bomedemstat
BUP03309-01Bomedemstat 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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