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Chemistry

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Also known as: Img-7289, Bomedemstat [usan], Y2t4aldeat, 1990504-34-1, Benzamide, n-((1s)-4-(((1r,2s)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1h-1,2,3-triazol-1-yl)-, Unii-y2t4aldeat
Molecular Formula
C28H34FN7O2
Molecular Weight
519.6  g/mol
InChI Key
KQKBMHGOHXOHTD-KKUQBAQOSA-N
FDA UNII
Y2T4ALDEAT

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.
1 2D Structure

Bomedemstat

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 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
2.1.3 InChI Key
KQKBMHGOHXOHTD-KKUQBAQOSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C(=O)C(CCCNC2CC2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)N5C=CN=N5
2.1.5 Isomeric 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
2.2 Other Identifiers
2.2.1 UNII
Y2T4ALDEAT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Img-7289

2. Bomedemstat [usan]

3. Y2t4aldeat

4. 1990504-34-1

5. Benzamide, N-((1s)-4-(((1r,2s)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1h-1,2,3-triazol-1-yl)-

6. Unii-y2t4aldeat

7. Bomedemstat [inn]

8. Bomedemstat [who-dd]

9. Chembl4297289

10. Schembl17984236

11. Bdbm425083

12. Who 11114

13. Us10519118, Example 158

14. Db15126

15. Hy-109169

16. Cs-0116355

17. N-((1s)-4-(((1r,2s)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1h-1,2,3-triazol-1-yl)benzamide

18. N-((s)-5-((1r,2s)-2-(4- Fluorophenyl)cyclopropylamino)-1-(4- Methylpiperazin-1-yl)-1-oxopentan-2-yl)-4- (1h-1,2,3-triazol-1-yl)benzamide

19. N-[(2s)-1-(4-(methyl)piperazin-1-yl)-5-[[(1r,2s)-2-(4-fluorophenyl)-cyclopropyl]amino]-1-oxopentan-2-yl]-4-(1h-1,2,3-triazol-1-yl)benzamide

2.4 Create Date
2016-12-08
3 Chemical and Physical Properties
Molecular Weight 519.6 g/mol
Molecular Formula C28H34FN7O2
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass519.27580151 g/mol
Monoisotopic Mass519.27580151 g/mol
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

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ABOUT THIS PAGE

Bomedemstat Manufacturers

A Bomedemstat manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Bomedemstat, including repackagers and relabelers. The FDA regulates Bomedemstat manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Bomedemstat API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Bomedemstat Suppliers

A Bomedemstat supplier is an individual or a company that provides Bomedemstat active pharmaceutical ingredient (API) or Bomedemstat finished formulations upon request. The Bomedemstat suppliers may include Bomedemstat API manufacturers, exporters, distributors and traders.

Bomedemstat GMP

Bomedemstat Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Bomedemstat GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Bomedemstat GMP manufacturer or Bomedemstat GMP API supplier for your needs.

Bomedemstat CoA

A Bomedemstat CoA (Certificate of Analysis) is a formal document that attests to Bomedemstat's compliance with Bomedemstat specifications and serves as a tool for batch-level quality control.

Bomedemstat CoA mostly includes findings from lab analyses of a specific batch. For each Bomedemstat CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Bomedemstat may be tested according to a variety of international standards, such as European Pharmacopoeia (Bomedemstat EP), Bomedemstat JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Bomedemstat USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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