Ombitasvir | ABT-267 | CAS#1258226-87-7

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

MedKoo CAT#: 314254

CAS#: 1258226-87-7

Description: Ombitasvir, also known as ABT-267, is a NS5A inhibitor, and is an antiviral drug for the treatment of hepatitis C virus (HCV) infection. In the United States, it is approved by the Food and Drug Administration for use in combination with paritaprevir, ritonavir and dasabuvir in the product Viekira Pak. Ombitasvir acts by inhibiting the HCV protein NS5A.

Chemical Structure

Ombitasvir

CAS# 1258226-87-7

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 314254
Name: Ombitasvir
CAS#: 1258226-87-7
Chemical Formula: C50H67N7O8
Exact Mass: 893.51
Molecular Weight: 894.127
Elemental Analysis: C, 67.17; H, 7.55; N, 10.97; O, 14.32

Price and Availability

Size	Price	Availability
25mg	USD 250	2 Weeks
100mg	USD 750	2 Weeks
250mg	USD 1350	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: ABT-267; ABT267; ABT 267; Ombitasvir; Viekira Pak.

IUPAC/Chemical Name: L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valyl-

InChi Key: ZLLNJSXORCIMOQ-CTWGVMPISA-N

InChi Code: InChI=1S/C50H67N7O8/c1-30(2)49(53-46(62)64-8,44(60)55-28-10-12-40(55)42(51)58)35-18-14-32(15-19-35)38-26-27-39(57(38)37-24-22-34(23-25-37)48(5,6)7)33-16-20-36(21-17-33)50(31(3)4,54-47(63)65-9)45(61)56-29-11-13-41(56)43(52)59/h14-25,30-31,38-41H,10-13,26-29H2,1-9H3,(H2,51,58)(H2,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,49+,50+/m0/s1

SMILES Code: CC([C@H](NC(OC)=O)C(N1CCC[C@H]1C(NC2=CC=C([C@@H]3CC[C@@H](C4=CC=C(NC([C@@H]5CCCN5C([C@@H](NC(OC)=O)C(C)C)=O)=O)C=C4)N3C6=CC=C(C(C)(C)C)C=C6)C=C2)=O)=O)C

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: >2 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

More Info:

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	Ombitasvir is a potent inhibitor of the hepatitis C virus protein NS5A, with EC50s of 0.82 to 19.3 pM against HCV genotypes 1 to 5, and 366 pM against genotype 6a.
In vitro activity:	TBD
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	dmf	30.0	33.55
	DMSO	54.3	60.77
	Ethanol	30.0	33.55
	Ethanol:PBS (pH 7.2) (1:2)	0.3	0.34

Preparing Stock Solutions

The following data is based on the product molecular weight 894.13 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.

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

Formulation protocol:	TBD
In vitro protocol:	TBD
In vivo protocol:	TBD

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Menon R, Badri P, Wang T, Polepally A, Zha J, Khatri A, Wang H, Hu B, Coakley E, Podsadecki T, Awni W, Dutta S. Drug-drug Interaction Profile of the All-Oral Anti-Hepatitis C Virus Regimen of Paritaprevir/Ritonavir, Ombitasvir and Dasabuvir. J Hepatol. 2015 Jan 31. pii: S0168-8278(15)00057-4. doi: 10.1016/j.jhep.2015.01.026. [Epub ahead of print] PubMed PMID: 25646891.

2: Chayama K, Notsumata K, Kurosaki M, Sato K, Rodrigues-Jr L, Setze C, Badri P, Pilot-Matias T, Vilchez RA, Kumada H. Randomized trial of interferon- and ribavirin-free ombitasvir/paritaprevir/ritonavir in treatment-experienced hcv-infected patients. Hepatology. 2015 Jan 16. doi: 10.1002/hep.27705. [Epub ahead of print] PubMed PMID: 25644279.

3: Gamal N, Vitale G, Andreone P. ABT-450: a novel agent for the treatment of CHC genotype 1: focus on treatment-experienced patients. Expert Rev Anti Infect Ther. 2015 Jan 12:1-10. [Epub ahead of print] PubMed PMID: 25582226.

4: Henderson JA, Bilimoria D, Bubenik M, Cadilhac C, Cottrell KM, Denis F, Dietrich E, Ewing N, Falardeau G, Giroux S, L'Heureux L, Liu B, Mani N, Morris M, Nicolas O, Pereira OZ, Poisson C, Reddy TJ, Selliah S, Shawgo RS, Vaillancourt L, Wang J, Xu J, Chauret N, Berlioz-Seux F, Chan LC, Das SK, Grillot AL, Bennani YL, Maxwell JP. Synthesis and evaluation of NS5A inhibitors containing diverse heteroaromatic cores. Bioorg Med Chem Lett. 2014 Dec 22. pii: S0960-894X(14)01350-X. doi: 10.1016/j.bmcl.2014.12.042. [Epub ahead of print] PubMed PMID: 25577039.

5: Soriano V, Labarga P, Barreiro P, Fernandez-Montero JV, de Mendoza C, Esposito I, BenÃtez-GutiÃ©rrez L, PeÃ±a JM. Drug interactions with new hepatitis C oral drugs. Expert Opin Drug Metab Toxicol. 2015 Jan 2:1-9. [Epub ahead of print] PubMed PMID: 25553890.

6: Kati W, Koev G, Irvin M, Beyer J, Liu Y, Krishnan P, Reisch T, Mondal R, Wagner R, Molla A, Maring C, Collins C. In Vitro Activity and Resistance Profile of Dasabuvir, a Non-nucleoside HCV Polymerase Inhibitor. Antimicrob Agents Chemother. 2014 Dec 22. pii: AAC.04619-14. [Epub ahead of print] PubMed PMID: 25534735.

7: Asselah T, Marcellin P. Optimal IFN-free therapy in treatment-naÃ¯ve patients with HCV genotype 1 infection. Liver Int. 2015 Jan;35 Suppl 1:56-64. doi: 10.1111/liv.12745. PubMed PMID: 25529088.

8: Abdel-Razek W, Waked I. Optimal therapy in genotype 4 chronic hepatitis C: finally cured? Liver Int. 2015 Jan;35 Suppl 1:27-34. doi: 10.1111/liv.12724. PubMed PMID: 25529085.

9: BourliÃ¨re M, Benali S, Ansaldi C, Le Folgoc G, Riso A, Lecomte L. Optimal therapy of genotype-2 chronic hepatitis C: what's new? Liver Int. 2015 Jan;35 Suppl 1:21-6. doi: 10.1111/liv.12711. PubMed PMID: 25529084.

10: Asselah T, Marcellin P. Viral hepatitis: towards the eradication of HCV and a cure for HBV. Liver Int. 2015 Jan;35 Suppl 1:1-3. doi: 10.1111/liv.12744. PubMed PMID: 25529080.

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