WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 562006
CAS#: 1248581-07-8
Description: PTC725 is a selective inhibitor of HCV 1b (Con 1) replicon. It has been shown to target the nonstructural protein 4B (NS4B).
MedKoo Cat#: 562006
Name: PTC725
CAS#: 1248581-07-8
Chemical Formula: C23H18F4N6O2S
Exact Mass: 518.1148
Molecular Weight: 518.49
Elemental Analysis: C, 53.28; H, 3.50; F, 14.66; N, 16.21; O, 6.17; S, 6.18
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).
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Synonym: PTC725; PTC-725; PTC 725;
IUPAC/Chemical Name: (S)-6-(3-Cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
InChi Key: OBULGMCFXOTNNK-ZDUSSCGKSA-N
InChi Code: InChI=1S/C23H18F4N6O2S/c1-3-14-9-20-16(10-18(14)24)17(11-28)21(33(20)22-29-7-4-8-30-22)19-6-5-15(12-31-19)36(34,35)32-13(2)23(25,26)27/h4-10,12-13,32H,3H2,1-2H3/t13-/m0/s1
SMILES Code: O=S(C1=CC=C(C(N2C3=NC=CC=N3)=C(C#N)C4=C2C=C(CC)C(F)=C4)N=C1)(N[C@@H](C)C(F)(F)F)=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: >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
The following data is based on the product molecular weight 518.49 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 |
1: Graci JD, Jung SP, Pichardo J, Lahser F, Tong X, Gu Z, Colacino JM. PTC725, an NS4B-Targeting Compound, Inhibits a Hepatitis C Virus Genotype 3 Replicon, as Predicted by Genome Sequence Analysis and Determined Experimentally. Antimicrob Agents Chemother. 2016 Nov 21;60(12):7060-7066. Print 2016 Dec. PubMed PMID: 27620477; PubMed Central PMCID: PMC5118984.
2: Zhang N, Zhang X, Zhu J, Turpoff A, Chen G, Morrill C, Huang S, Lennox W, Kakarla R, Liu R, Li C, Ren H, Almstead N, Venkatraman S, Njoroge FG, Gu Z, Clausen V, Graci J, Jung SP, Zheng Y, Colacino JM, Lahser F, Sheedy J, Mollin A, Weetall M, Nomeir A, Karp GM. Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B. J Med Chem. 2014 Mar 13;57(5):2121-35. doi: 10.1021/jm401621g. Epub 2013 Dec 4. PubMed PMID: 24266880.
3: Gu Z, Graci JD, Lahser FC, Breslin JJ, Jung SP, Crona JH, McMonagle P, Xia E, Liu S, Karp G, Zhu J, Huang S, Nomeir A, Weetall M, Almstead NG, Peltz SW, Tong X, Ralston R, Colacino JM. Identification of PTC725, an orally bioavailable small molecule that selectively targets the hepatitis C Virus NS4B protein. Antimicrob Agents Chemother. 2013 Jul;57(7):3250-61. doi: 10.1128/AAC.00527-13. Epub 2013 Apr 29. PubMed PMID: 23629699; PubMed Central PMCID: PMC3697315.
