Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C60H72N8O6.2H2O |
| Molecular Weight | 1037.2942 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)C3=NC4=CC=C(C=C4N3)C5=CC6=CC=C5CCC7=CC=C(CC6)C(=C7)C8=CC=C9N=C(NC9=C8)[C@@H]%10C[C@]%11([H])CCCC[C@]%11([H])N%10C(=O)[C@@H](NC(=O)OC)C(C)C
InChI
InChIKey=HNVFJWRQGPHREH-KDRULICVSA-N
InChI=1S/C60H72N8O6.2H2O/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6;;/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72);2*1H2/t41-,42-,49-,50-,51-,52-,53-,54-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C60H72N8O6 |
| Molecular Weight | 1001.2637 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Odalasvir (previously known as ACH-3102) is a second-generation inhibitor of the nonstructural protein 5A (NS5A) of hepatitis C virus (HCV). It was reported that HCV NS5A is associated with interferon signaling related to HCV replication and hepatocarcinogenesis. HCV NS5A inhibitors efficiently inhibited HCV replication. It is known that HCV is a leading cause of hepatocellular carcinoma (HCC) in Japan and is one of the major causes of end-stage liver disease, HCC, and liver transplantation in the United States and Europe. Odalasvir completed phase II clinical trial, where was evaluated efficacy and safety of its combinations with AL-335, and simeprevir in the treatment of chronic hepatitis C Infection.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Meeting report: 26th International Conference on Antiviral Research. | 2013 Oct |
|
| Hepatitis C virus NS5A inhibitors and drug resistance mutations. | 2014 Mar 21 |
|
| Short-Duration AL-335, Odalasvir, With or Without Simeprevir, in Patients With HCV GT1 or 3 Infection Without Cirrhosis. | 2018 Dec |
|
| Pharmacokinetics, safety, and tolerability of the 2- and 3-direct-acting antiviral combination of AL-335, odalasvir, and simeprevir in healthy subjects. | 2018 Jun |
|
| Evaluation of antiviral effects of novel NS5A inhibitors in hepatitis C virus cell culture system with full-genome infectious clones. | 2018 Oct |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:29:50 UTC 2023
by
admin
on
Sat Dec 16 18:29:50 UTC 2023
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| Record UNII |
5PST6985SZ
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| Record Status |
Validated (UNII)
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| Record Version |
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300000042551
Created by
admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023
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5PST6985SZ
Created by
admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023
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140780042
Created by
admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023
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2090706-83-3
Created by
admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |