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Chemistry

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Also known as: Debio-025, 254435-95-5, Debio 025, Unil 025, Unil-025, Deb-025
Molecular Formula
C63H113N11O12
Molecular Weight
1216.6  g/mol
InChI Key
OLROWHGDTNFZBH-XEMWPYQTSA-N
FDA UNII
VBP9099AA6

Alisporivir
Alisporivir is a non-immunosuppressive analogue of cyclosporine A and an inhibitor of cyclophilins, with potential antiviral activity. Upon oral administration, alisporivir targets and inhibits human host cyclophilins, thereby inhibiting hepatitis C virus (HCV) replication in hepatocytes. Alisporivir may also inhibit the replication of various coronaviruses. In addition, it may inhibit mitochondrial cyclophilin-D, which regulates mitochondrial permeability transition pore (mPTP) opening. This may prevent cell death and tissue damage.
1 2D Structure

Alisporivir

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
2.1.2 InChI
InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
2.1.3 InChI Key
OLROWHGDTNFZBH-XEMWPYQTSA-N
2.1.4 Canonical SMILES
CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C
2.1.5 Isomeric SMILES
CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C
2.2 Other Identifiers
2.2.1 UNII
VBP9099AA6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Debio-025

2. Meala(3)etval(4)-cyclosporin

3. Unil 025

4. Unil-025

5. Unil025

2.3.2 Depositor-Supplied Synonyms

1. Debio-025

2. 254435-95-5

3. Debio 025

4. Unil 025

5. Unil-025

6. Deb-025

7. Deb025

8. (d-meala)3-(etval)4-csa

9. Vbp9099aa6

10. Chembl1651956

11. Deb 025

12. Alisporivir (usan)

13. Alisporivir [usan]

14. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r,e)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

15. Cyclo(l-alanyl-d-alanyl-n-methyl-l-leucyl-n-methyl-l-leucyl-n-methyl-l-valyl-(2s,3r,4r,6e)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2s)-2-aminobutanoyl-n-methyl-d-alanyl-n-ethyl-l-valyl-l-valyl-n-methyl-l-leucyl)

16. Alisporivir [inn]

17. Alisporivir [usan:inn]

18. Unii-vbp9099aa6

19. Unil025

20. Meala(3)etval(4)-cyclosporin

21. Alisporivir [who-dd]

22. Debio-025;deb-025

23. Schembl6850787

24. Chebi:149837

25. Dtxsid401027752

26. Bdbm50339127

27. De-025

28. Cs-7501

29. Db12139

30. Hy-12559

31. D10087

32. Q4727236

33. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

34. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r,e)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

35. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-[(1r,2r,4e)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone

36. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-[(e,1r,2r)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 1216.6 g/mol
Molecular Formula C63H113N11O12
XLogP37.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass1215.85701808 g/mol
Monoisotopic Mass1215.85701808 g/mol
Topological Polar Surface Area279 Ų
Heavy Atom Count86
Formal Charge0
Complexity2360
Isotope Atom Count0
Defined Atom Stereocenter Count13
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 chronic hepatitis C


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Looking for 254435-95-5 / Alisporivir API manufacturers, exporters & distributors?

Alisporivir manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Alisporivir manufacturer or Alisporivir supplier.

PharmaCompass also assists you with knowing the Alisporivir API Price utilized in the formulation of products. Alisporivir API Price is not always fixed or binding as the Alisporivir Price is obtained through a variety of data sources. The Alisporivir Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Alisporivir

Synonyms

Debio-025, 254435-95-5, Debio 025, Unil 025, Unil-025, Deb-025

Cas Number

254435-95-5

Unique Ingredient Identifier (UNII)

VBP9099AA6

About Alisporivir

Alisporivir is a non-immunosuppressive analogue of cyclosporine A and an inhibitor of cyclophilins, with potential antiviral activity. Upon oral administration, alisporivir targets and inhibits human host cyclophilins, thereby inhibiting hepatitis C virus (HCV) replication in hepatocytes. Alisporivir may also inhibit the replication of various coronaviruses. In addition, it may inhibit mitochondrial cyclophilin-D, which regulates mitochondrial permeability transition pore (mPTP) opening. This may prevent cell death and tissue damage.

Alisporivir [INN] Manufacturers

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

Alisporivir [INN] Suppliers

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

Alisporivir [INN] GMP

Alisporivir [INN] 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 Alisporivir [INN] 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 Alisporivir [INN] GMP manufacturer or Alisporivir [INN] GMP API supplier for your needs.

Alisporivir [INN] CoA

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

Alisporivir [INN] CoA mostly includes findings from lab analyses of a specific batch. For each Alisporivir [INN] 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.

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