PTC725 | CAS#1248581-07-8 | Con 1 replicon inhibitor

MedKoo Cat#: 562006 | Name: PTC725

Description:

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

PTC725 is a selective inhibitor of HCV 1b (Con 1) replicon. It has been shown to target the nonstructural protein 4B (NS4B).

Chemical Structure

PTC725

CAS#1248581-07-8

Theoretical Analysis

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

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.

Bulk Inquiry

Related CAS #

No Data

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

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.