Odalasvir dihydrate

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MedKoo CAT#: 414546

CAS#: 2090706-83-3 (dihydrate)

Description: Odalasvir dihydrate can be used, for example, in amorphous or crystalline form and/or as a hydrate (including a dihydrate), a solvate or a pharmaceutically acceptable salt.

Chemical Structure

Odalasvir dihydrate
CAS# 2090706-83-3 (dihydrate)

Theoretical Analysis

MedKoo Cat#: 414546
Name: Odalasvir dihydrate
CAS#: 2090706-83-3 (dihydrate)
Chemical Formula: C60H76N8O8
Exact Mass: 1036.5786
Molecular Weight: 1037.32
Elemental Analysis: C, 69.47; H, 7.39; N, 10.80; O, 12.34

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

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

IUPAC/Chemical Name: methyl ((S)-1-((2S,3aS,7aS)-2-(6-(43-(2-((2S,3aS,7aS)-1-((methoxycarbonyl)-L-valyl)octahydro-1H-indol-2-yl)-1H-benzo[d]imidazol-6-yl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)-1H-benzo[d]imidazol-2-yl)octahydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrate


InChi Code: 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

SMILES Code: O=C(N[C@H](C(N1[C@@H](C[C@@]2(CCCC[C@]12[H])[H])C3=NC4=CC=C(C=C4N3)C5=C6CCC7=CC(C8=CC=C9C(NC([C@H]%10N([C@]%11(CCCC[C@]%11(C%10)[H])[H])C([C@H](C(C)C)NC(OC)=O)=O)=N9)=C8)=C(CCC(C=C6)=C5)C=C7)=O)C(C)C)OC.[H]O[H].[H]O[H]

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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 1037.32 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.