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Chemistry

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Also known as: Tbr-652, 497223-25-3, Tak-652, Tbr652, Tbr 652, 15c116ua4y
Molecular Formula
C41H52N4O4S
Molecular Weight
696.9  g/mol
InChI Key
PNDKCRDVVKJPKG-WHERJAGFSA-N
FDA UNII
15C116UA4Y

Cenicriviroc
Cenicriviroc is an orally bioavailable, dual inhibitor of human C-C chemokine receptor types 2 (CCR2; CD192) and 5 (CCR5; CD195), with potential immunomodulating, anti-inflammatory and antiviral activities. Upon oral administration, cenicriviroc specifically binds to and prevents the activation of both CCR2 and CCR5. This inhibits the activation of CCR2/CCR5-mediated signal transduction pathways and may inhibit inflammatory processes. The G-protein coupled chemokine receptors CCR2 and CCR5 are expressed on the surface of monocytes and macrophages and stimulate their migration and infiltration; they play key roles in inflammation and autoimmune diseases. In addition, cenicriviroc inhibits human immunodeficiency virus (HIV)-1 entry via CCR5 coreceptor interaction.
1 2D Structure

Cenicriviroc

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
2.1.2 InChI
InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
2.1.3 InChI Key
PNDKCRDVVKJPKG-WHERJAGFSA-N
2.1.4 Canonical SMILES
CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C
2.1.5 Isomeric SMILES
CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C
2.2 Other Identifiers
2.2.1 UNII
15C116UA4Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (-)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-n-(4-(((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

2. 8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-(4-((s)-((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1-benzazocine-5-carboxamide

3. Tak 652

4. Tak-652

5. Tbr 652

6. Tbr-652

7. Tbr652

2.3.2 Depositor-Supplied Synonyms

1. Tbr-652

2. 497223-25-3

3. Tak-652

4. Tbr652

5. Tbr 652

6. 15c116ua4y

7. 497223-25-3 (free Base)

8. (-)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-n-(4-(((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

9. (s,e)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-n-(4-(((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide

10. Cvc

11. Tak 652

12. Tak652

13. Cenicrivirocum

14. Cenicriviroc [inn]

15. Cenicriviroc (usan/inn)

16. Cenicriviroc [usan:inn]

17. Cenicriviroc [usan]

18. Cenicriviroc [who-dd]

19. Unii-15c116ua4y

20. Schembl3157748

21. Schembl3157768

22. Chembl2110727

23. Tbr-652tak-652

24. Chebi:149636

25. (5e)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-n-[4-[(s)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2h-1-benzazocine-5-carboxamide

26. Amy12051

27. Ex-a1608

28. Tak-652; Tbr-652

29. Bdbm50306033

30. Bdbm50422828

31. Mfcd28502076

32. S8512

33. Cs-6148

34. Db11758

35. 8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-(4-((s)-((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1-benzazocine-5-carboxamide

36. Ac-31368

37. As-35184

38. Bc179068

39. Hy-14882

40. D09878

41. Q5058846

42. (5e)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-n-(4-{(s)-[(1-propyl-1h-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

43. (5e)-8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-n-[4-[(s)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2h-1-benzazocine-5-carboxamide

44. (s)-8-(4-(2-butoxyethoxy)phenyl)-1-(2-methylpropyl)-n-(4-(((1-propyl-1h-imidazol-5- Yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

45. 1-benzazocine-5-carboxamide, 8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2- Methylpropyl)-n-(4-((s)-((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-

46. 1-benzazocine-5-carboxamide, 8-(4-(2-butoxyethoxy)phenyl)-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-(4-((s)-((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-

47. 1-benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-n-[4-[[(1-propyl-1h-imidazol-5-yl)methyl]sulfinyl]phenyl]-, (5e)-

48. 8-(4-(2-(butoxy)ethoxy)phenyl)-1-(2-methylpropyl)-n-(4-((s)-((1-propyl-1h-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 696.9 g/mol
Molecular Formula C41H52N4O4S
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass696.37092733 g/mol
Monoisotopic Mass696.37092733 g/mol
Topological Polar Surface Area105 Ų
Heavy Atom Count50
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of non-alcoholic steatohepatitis (NASH)


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

CCR5 Receptor Antagonists

Compounds and drugs that inhibit or block the activity of CCR5 RECEPTORS. (See all compounds classified as CCR5 Receptor Antagonists.)


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ABOUT THIS PAGE

Cenicriviroc Manufacturers

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

Cenicriviroc Suppliers

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

Cenicriviroc GMP

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

Cenicriviroc CoA

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

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

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