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Chemistry

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Also known as: Valemetostat tosylayte, 1809336-93-3, Valemetostat (tosylate), 6n79i7x5ii, 1809336-93-3 (tosylate), Valemetostat tosilate (jan)
Molecular Formula
C33H42ClN3O7S
Molecular Weight
660.2  g/mol
InChI Key
JSBKGJUYSLVFPF-RRKMXGHKSA-N
FDA UNII
6N79I7X5II

Valemetostat
Valemetostat Tosylate is the tosylate form of valemetostat, an orally available selective inhibitor of the histone lysine methyltransferases enhancer of zeste homolog 1 (EZH1) and 2 (EZH2), with potential antineoplastic activity. Upon oral administration, valemetostat selectively inhibits the activity of both wild-type and mutated forms of EZH1 and EZH2. Inhibition of EZH1/2 specifically prevents the methylation of lysine 27 on histone H3 (H3K27). This decrease in histone methylation alters gene expression patterns associated with cancer pathways, enhances transcription of certain target genes, and results in decreased proliferation of EZH1/2-expressing cancer cells. EZH1/2, histone lysine methyltransferase (HMT) class enzymes and catalytic subunits of the polycomb repressive complex 2 (PRC2), are overexpressed or mutated in a variety of cancer cells and play key roles in tumor cell proliferation, progression, stem cell self-renewal and migration.
1 2D Structure

Valemetostat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17?,18?,26-;/m1./s1
2.1.3 InChI Key
JSBKGJUYSLVFPF-RRKMXGHKSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)C
2.1.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C
2.2 Other Identifiers
2.2.1 UNII
6N79I7X5II
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Valemetostat Tosylayte

2. 1809336-93-3

3. Valemetostat (tosylate)

4. 6n79i7x5ii

5. 1809336-93-3 (tosylate)

6. Valemetostat Tosilate (jan)

7. Valemetostat Tosilate [jan]

8. (2r)-7-chloro-2-[trans-4-(dimethylamino)cyclohexyl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide Tosylate

9. 1,3-benzodioxole-5-carboxamide, 7-chloro-n-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-2-(trans-4-(dimethylamino)cyclohexyl)-2,4-dimethyl-, (2r)-, Compd. With 4-methylbenzenesulfonate (1:1)

10. Ds-3201 Tosylate

11. Valemetostat Tosilate

12. Unii-6n79i7x5ii

13. Chembl4594405

14. Schembl18393873

15. Hy-109108a

16. Cs-0101884

17. D11662

18. (2r)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-n-[(4,6-dimethyl-2-oxo-1h-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;4-methylbenzenesulfonic Acid

19. (r)-7-chloro-n-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-((1r,4r)-4-(dimethylamino)cyclohexyl)-2,4-dimethylbenzo[d][1,3]dioxole-5-carboxamide 4-methylbenzenesulfonate

20. (r)-7-chloro-n-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-((1r,4r)-4-(dimethylamino)cyclohexyl)-2,4-dimethylbenzo[d][1,3]dioxole-5-carboxamide4-methylbenzenesulfonate

2.4 Create Date
2017-04-22
3 Chemical and Physical Properties
Molecular Weight 660.2 g/mol
Molecular Formula C33H42ClN3O7S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass659.2431996 g/mol
Monoisotopic Mass659.2431996 g/mol
Topological Polar Surface Area143 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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ABOUT THIS PAGE

Valemetostat Manufacturers

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

Valemetostat Suppliers

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

Valemetostat GMP

Valemetostat 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 Valemetostat 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 Valemetostat GMP manufacturer or Valemetostat GMP API supplier for your needs.

Valemetostat CoA

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

Valemetostat CoA mostly includes findings from lab analyses of a specific batch. For each Valemetostat 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.

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