Odalasvir

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 533677

CAS#: 1415119-52-6 (free base)

Description: Odalasvir is a novel NS5A inhibitor for the treatment of hepatitis C.


Chemical Structure

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Odalasvir
CAS# 1415119-52-6 (free base)

Theoretical Analysis

MedKoo Cat#: 533677
Name: Odalasvir
CAS#: 1415119-52-6 (free base)
Chemical Formula: C60H72N8O6
Exact Mass: 1000.5575
Molecular Weight: 1001.286
Elemental Analysis: C, 71.97; H, 7.25; N, 11.19; O, 9.59

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 2090706-83-3 (dihydrate); 1415119-52-6 (free base)  

Synonym: Odalasvir; ACH 0143102; ACH-0143102; ACH0143102; ACH 3102; ACH-3102; ACH3102;

IUPAC/Chemical Name: Methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

InChi Key: LSYBRGMTRKJATA-IVEWBXRVSA-N

InChi Code: InChI=1S/C60H72N8O6/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)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1

SMILES Code: O=C(OC)N[C@@H](C(C)C)C(N1[C@H](C2=NC3=CC=C(C4=C5CCC(C=C6)=CC(C7=CC=C8C(NC([C@H]9N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@@]%10([H])CCCC[C@@]%10([H])C9)=N8)=C7)=C6CCC(C=C5)=C4)C=C3N2)C[C@]%11([H])CCCC[C@]1%11[H])=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 1001.286 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Bellesini M, Bianchin M, Corradi C, Donadini MP, Raschi E, Squizzato A. Drug- Drug Interactions between Direct Oral Anticoagulants and Hepatitis C Direct- Acting Antiviral Agents: Looking for Evidence Through a Systematic Review. Clin Drug Investig. 2020 Nov;40(11):1001-1008. doi: 10.1007/s40261-020-00962-y. PMID: 32809123; PMCID: PMC7595962.

2: Takehara T, Chayama K, Kurosaki M, Yatsuhashi H, Tanaka Y, Hiramatsu N, Sakamoto N, Asahina Y, Nozaki A, Nakano T, Hagiwara Y, Shimizu H, Yoshida H, Huang Y, Biermer M, Vijgen L, Hayashi N. JNJ-4178 (adafosbuvir, odalasvir, and simeprevir) in Japanese patients with chronic hepatitis C virus genotype 1 or 2 infection with or without compensated cirrhosis: the Phase IIa OMEGA-3 study. J Gastroenterol. 2020 Jun;55(6):640-652. doi: 10.1007/s00535-020-01672-0. Epub 2020 Feb 17. PMID: 32065330; PMCID: PMC7242285.

3: Zeuzem S, Bourgeois S, Greenbloom S, Buti M, Aghemo A, Lampertico P, Janczewska E, Lim SG, Moreno C, Buggisch P, Tam E, Corbett C, Willems W, Vijgen L, Fevery B, Ouwerkerk-Mahadevan S, Ackaert O, Beumont M, Kalmeijer R, Sinha R, Biermer M; OMEGA-1 study team. JNJ-4178 (AL-335, Odalasvir, and Simeprevir) for 6 or 8 Weeks in Hepatitis C Virus-Infected Patients Without Cirrhosis: OMEGA-1. Hepatology. 2019 Jun;69(6):2349-2363. doi: 10.1002/hep.30527. Epub 2019 Mar 14. PMID: 30693573.

4: Valade E, Kakuda TN, McClure MW, Westland C, Valenzuela B, Ouwerkerk- Mahadevan S, Perez-Ruixo JJ, Ackaert O. Population Pharmacokinetics of AL-335 and Its Two Main Metabolites (ALS-022399, ALS-022227) in Monotherapy and in Combination with Odalasvir and/or Simeprevir. AAPS J. 2018 Oct 24;21(1):1. doi: 10.1208/s12248-018-0272-z. PMID: 30377854.

5: Valade E, Valenzuela B, Kakuda TN, Westland C, McClure MW, Ouwerkerk- Mahadevan S, Perez-Ruixo JJ, Ackaert O. Characterizing the Pharmacokinetic Interaction Between Simeprevir and Odalasvir in Healthy Volunteers Using a Population Modeling Approach. AAPS J. 2018 Oct 22;20(6):111. doi: 10.1208/s12248-018-0271-0. PMID: 30350297.

6: Murayama A, Fujiwara K, Yamada N, Shiina M, Aly HH, Masaki T, Muramatsu M, Wakita T, Kato T. Evaluation of antiviral effects of novel NS5A inhibitors in hepatitis C virus cell culture system with full-genome infectious clones. Antiviral Res. 2018 Oct;158:161-170. doi: 10.1016/j.antiviral.2018.08.008. Epub 2018 Aug 15. PMID: 30118732.

7: Gane EJ, Stedman CA, Schwabe C, Vijgen L, Chanda S, Kakuda TN, Fry J, Blatt LM, McClure MW. Short-Duration AL-335, Odalasvir, With or Without Simeprevir, in Patients With HCV GT1 or 3 Infection Without Cirrhosis. Hepatology. 2018 Dec;68(6):2145-2157. doi: 10.1002/hep.30126. Epub 2018 Nov 19. PMID: 30070722.

8: Kakuda TN, McClure MW, Westland C, Vuong J, Homery MC, Poizat G, Viguerie L, Denot C, Patat A, Zhang Q, Hui J, Apelian D, Smith DB, Chanda SM, Fry J. Pharmacokinetics, safety, and tolerability of the 2- and 3-direct-acting antiviral combination of AL-335, odalasvir, and simeprevir in healthy subjects. Pharmacol Res Perspect. 2018 Apr 30;6(3):e00395. doi: 10.1002/prp2.395. PMID: 29736243; PMCID: PMC5927802.