SJ733 | CAS#1424799-20-1 | plasmodium ATP4 inhibitor

MedKoo Cat#: 562258 | Name: SJ733

Description:

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

(+)-SJ733 is an inhibitor of plasmodium ATP4, leading to rapid clearance in vivo by inducing physical changes in infected, treated red cells.

Chemical Structure

SJ733

CAS#1424799-20-1

Theoretical Analysis

MedKoo Cat#: 562258

Name: SJ733

CAS#: 1424799-20-1

Chemical Formula: C24H16F4N4O2

Exact Mass: 468.1209

Molecular Weight: 468.41

Elemental Analysis: C, 61.54; H, 3.44; F, 16.22; N, 11.96; O, 6.83

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 #

No Data

Synonym

(+)-SJ733; (+)-SJ557733;

IUPAC/Chemical Name

(3S,4S)-1-Oxo-3-pyridin-3-yl-2-(2,2,2-trifluoro-ethyl)-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid (3-cyano-4-fluoro-phenyl)-amide

InChi Key

VKCPFWKTFZAOTO-LEWJYISDSA-N

InChi Code

InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1

SMILES Code

O=C([C@@H](C1=C2C=CC=C1)[C@@H](C3=CC=CN=C3)N(CC(F)(F)F)C2=O)NC4=CC=C(F)C(C#N)=C4

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 468.41 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: Crawford ED, Quan J, Horst JA, Ebert D, Wu W, DeRisi JL. Plasmid-free CRISPR/Cas9 genome editing in Plasmodium falciparum confirms mutations conferring resistance to the dihydroisoquinolone clinical candidate SJ733. PLoS One. 2017 May 22;12(5):e0178163. doi: 10.1371/journal.pone.0178163. eCollection 2017. PubMed PMID: 28542423; PubMed Central PMCID: PMC5439709. 2: Mogollon CM, van Pul FJ, Imai T, Ramesar J, Chevalley-Maurel S, de Roo GM, Veld SA, Kroeze H, Franke-Fayard BM, Janse CJ, Khan SM. Rapid Generation of Marker-Free P. falciparum Fluorescent Reporter Lines Using Modified CRISPR/Cas9 Constructs and Selection Protocol. PLoS One. 2016 Dec 20;11(12):e0168362. doi: 10.1371/journal.pone.0168362. eCollection 2016. PubMed PMID: 27997583; PubMed Central PMCID: PMC5172577. 3: Deng X, Duffy SP, Myrand-Lapierre ME, Matthews K, Santoso AT, Du YL, Ryan KS, Ma H. Reduced deformability of parasitized red blood cells as a biomarker for anti-malarial drug efficacy. Malar J. 2015 Oct 31;14:428. doi: 10.1186/s12936-015-0957-z. PubMed PMID: 26520795; PubMed Central PMCID: PMC4628286. 4: Correction for Jiménez-Díaz et al., (+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium. Proc Natl Acad Sci U S A. 2015 Oct 20;112(42):E5764. doi: 10.1073/pnas.1518632112. Epub 2015 Oct 1. PubMed PMID: 26430239; PubMed Central PMCID: PMC4620879. 5: Jiménez-Díaz MB, Ebert D, Salinas Y, Pradhan A, Lehane AM, Myrand-Lapierre ME, O'Loughlin KG, Shackleford DM, Justino de Almeida M, Carrillo AK, Clark JA, Dennis AS, Diep J, Deng X, Duffy S, Endsley AN, Fedewa G, Guiguemde WA, Gómez MG, Holbrook G, Horst J, Kim CC, Liu J, Lee MC, Matheny A, Martínez MS, Miller G, Rodríguez-Alejandre A, Sanz L, Sigal M, Spillman NJ, Stein PD, Wang Z, Zhu F, Waterson D, Knapp S, Shelat A, Avery VM, Fidock DA, Gamo FJ, Charman SA, Mirsalis JC, Ma H, Ferrer S, Kirk K, Angulo-Barturen I, Kyle DE, DeRisi JL, Floyd DM, Guy RK. (+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium. Proc Natl Acad Sci U S A. 2014 Dec 16;111(50):E5455-62. doi: 10.1073/pnas.1414221111. Epub 2014 Dec 1. Erratum in: Proc Natl Acad Sci U S A. 2015 Oct 20;112(42):E5764. PubMed PMID: 25453091; PubMed Central PMCID: PMC4273362.

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