MedKoo Cat#: 414546 | Name: Odalasvir dihydrate

Description:

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

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
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 currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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 Key
HNVFJWRQGPHREH-KDRULICVSA-N
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,037.32 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
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.