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Chemistry

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Also known as: 1644545-52-7, Ag-881, Vorasidenib [inn], Vorasidenib [usan], Ag881, 789q85ga8p
Molecular Formula
C14H13ClF6N6
Molecular Weight
414.74  g/mol
InChI Key
QCZAWDGAVJMPTA-RNFRBKRXSA-N
FDA UNII
789Q85GA8P

Vorasidenib
Vorasidenib is an orally available inhibitor of mutated forms of both isocitrate dehydrogenase type 1 (IDH1, IDH1 [NADP+] soluble) in the cytoplasm and type 2 (IDH2, isocitrate dehydrogenase [NADP+], mitochondrial) in the mitochondria, with potential antineoplastic activity. Upon administration, vorasidenib specifically inhibits mutant forms of IDH1 and IDH2, thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH mutations. In addition, vorasidenib is able to penetrate the blood-brain barrier (BBB). IDH1 and 2, metabolic enzymes that catalyze the conversion of isocitrate into a-KG, play key roles in energy production and are mutated in a variety of cancer cell types. In addition, mutant forms of IDH1 and 2 catalyze the formation of 2HG and drive cancer growth by blocking cellular differentiation and inducing cellular proliferation.
1 2D Structure

Vorasidenib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
2.1.2 InChI
InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
2.1.3 InChI Key
QCZAWDGAVJMPTA-RNFRBKRXSA-N
2.1.4 Canonical SMILES
CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F
2.1.5 Isomeric SMILES
C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
789Q85GA8P
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,3,5-triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-n2,n4-bis((1r)-2,2,2-trifluoro-1-methylethyl)-

2. 6-(6-chloro-2-pyridinyl)-n,n'-bis((2r)-1,1,1-trifluoro-2-propanyl)-1,3,5-triazine-2,4-diamine

2.3.2 Depositor-Supplied Synonyms

1. 1644545-52-7

2. Ag-881

3. Vorasidenib [inn]

4. Vorasidenib [usan]

5. Ag881

6. 789q85ga8p

7. 6-(6-chloropyridin-2-yl)-2-n,4-n-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

8. 6-(6-chloropyridin-2-yl)-n2,n4-bis((r)-1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

9. 1,3,5-triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-n2,n4-bis((1r)-2,2,2-trifluoro-1-methylethyl)-

10. 6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

11. 9uo

12. Pvm/ma

13. Ag-881; Vorasidenib

14. Vorasidenib (ag881)

15. Vorasidenib (ag-881)

16. Vorasidenib (usan/inn)

17. Vorasidenib [who-dd]

18. Unii-789q85ga8p

19. Ag 881 [who-dd]

20. Chembl4279047

21. Schembl16393139

22. Schembl22396621

23. Schembl23573057

24. Gtpl10663

25. Bdbm279948

26. Ex-a2574

27. Nsc803600

28. S8611

29. Us10028961, Compound 101

30. Who 10525

31. Akos037648888

32. Ccg-268824

33. Cs-8033

34. Nsc-803600

35. Ac-36152

36. Bs-15954

37. Hy-104042

38. A16908

39. C73178

40. D11834

41. 6-(6-chloropyridin-2-yl)-n~2~,n~4~-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

42. 6-(6-chloropyridin-2-yl)-n2,n4-bis((r)-1,1,1-trifluoro Propan-2-yl)-1,3,5-triazine-2,4-diamine

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 414.74 g/mol
Molecular Formula C14H13ClF6N6
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass414.0794411 g/mol
Monoisotopic Mass414.0794411 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Vorasidenib Manufacturers

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

Vorasidenib Suppliers

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

Vorasidenib GMP

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

Vorasidenib CoA

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

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

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