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Chemistry

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Also known as: Cpi-613, 95809-78-2, Devimistat, Cpi 613, 6,8-bis(benzylsulfanyl)octanoic acid, Mls006010202
Molecular Formula
C22H28O2S2
Molecular Weight
388.6  g/mol
InChI Key
ZYRLHJIMTROTBO-UHFFFAOYSA-N
FDA UNII
E76113IR49

Devimistat
Devimistat is a racemic mixture of the enantiomers of a synthetic alpha-lipoic lipoic acid analogue with potential chemopreventive and antineoplastic activities. Although the exact mechanism of action is unknown, devimistat has been shown to inhibit metabolic and regulatory processes required for cell growth in solid tumors. Both enantiomers in the racemic mixture exhibit antineoplastic activity.
1 2D Structure

Devimistat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,8-bis(benzylsulfanyl)octanoic acid
2.1.2 InChI
InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
2.1.3 InChI Key
ZYRLHJIMTROTBO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
E76113IR49
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cpi 613

2. Cpi-613

3. Cpi613

4. Devimistat

2.3.2 Depositor-Supplied Synonyms

1. Cpi-613

2. 95809-78-2

3. Devimistat

4. Cpi 613

5. 6,8-bis(benzylsulfanyl)octanoic Acid

6. Mls006010202

7. Cpi613

8. Schembl1062218

9. Mfcd22420826

10. E76113ir49

11. 6,8-bis[(phenylmethyl)thio]octanoic Acid

12. Octanoic Acid, 6,8-bis((phenylmethyl)thio)-

13. Octanoic Acid, 6,8-bis[(phenylmethyl)thio]-

14. Unii-e76113ir49

15. Devimistat [inn]

16. Devimistat [who-dd]

17. 6,8-bis(benzylthio)octanoicacid

18. Chembl3186849

19. Dtxsid70914807

20. Hms3656l06

21. Hms3873f13

22. 6,8-bis(benzylthio)-octanoic Acid

23. Bcp04663

24. Ex-a2043

25. Nsc766888

26. S2776

27. Akos025142095

28. Bcp9000552

29. Ccg-268505

30. Cs-0961

31. Db12109

32. Nsc-766888

33. Ncgc00344764-01

34. Ac-32929

35. As-16613

36. Hy-15453

37. Smr004701300

38. Sy234319

39. Bcp0726000030

40. 6,8-bis-benzylsulfanyl-octanoic Acid

41. Sw220297-1

42. (+/-)-6,8-bis(benzylthio)octanoic Acid

43. 6,8-bis(benzylthio)octanoic Acid, (+/-)-

44. J-518174

45. 6,8-bis(benzylthio)-octanoic Acid, >=98% (hplc)

46. Q27276958

47. Rac-(6r)-6,8-bis(benzylsulfanyl)octanoic Acid

2.4 Create Date
2008-04-28
3 Chemical and Physical Properties
Molecular Weight 388.6 g/mol
Molecular Formula C22H28O2S2
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass388.15307248 g/mol
Monoisotopic Mass388.15307248 g/mol
Topological Polar Surface Area87.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Devimistat Manufacturers

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

Devimistat Suppliers

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

Devimistat GMP

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

Devimistat CoA

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

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

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