Bomedemstat

CAT: 0804-HY-109169-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-109169-01Size:5 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 Number	1990504-34-1
PubChem CID	122460381
IUPAC Name	N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide
Molecular Formula	C28H34FN7O2
Molecular Weight	519.6
XLogP	2.3
Topological Polar Surface Area	95.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	38
Formal Charge	0
Complexity	779

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

CAS: 1990504-34-1

CID: 122460381

Formula: C28H34FN7O2

MW: 519.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	519.6
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	519.27580151
Monoisotopic Mass	519.27580151
Topological Polar Surface Area	95.4 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	779
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
C14451-01	Bomedemstat
BUP03309-01	Bomedemstat ditosylate
T63935-01	Bomedemstat hydrochloride
A24340-5	Bomedemstat (IMG-7289) 5mg
A24340-100	Bomedemstat (IMG-7289) 100mg
A24340-10	Bomedemstat (IMG-7289) 10mg
A24340-50	Bomedemstat (IMG-7289) 50mg

Bomedemstat

Chemical Information

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