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MedKoo Cat#: 530456 | Name: WS3
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Description:

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

WS3 is a non-specific proliferative molecule that modulates the activity of Erb3 binding protein-1 and the IκB kinase pathway.

Chemical Structure

WS3
WS3
CAS#1421227-52-2

Theoretical Analysis

MedKoo Cat#: 530456

Name: WS3

CAS#: 1421227-52-2

Chemical Formula: C28H30F3N7O3

Exact Mass: 569.2362

Molecular Weight: 569.59

Elemental Analysis: C, 59.04; H, 5.31; F, 10.01; N, 17.21; O, 8.43

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 1,950.00 2 Weeks
500mg USD 2,950.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 7,650.00 2 Weeks
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Related CAS #
No Data
Synonym
WS3; WS-3; WS 3.
IUPAC/Chemical Name
N-(6-(4-(3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
InChi Key
KIKOYRNAERIVSJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39)
SMILES Code
CN1CCN(CC2=CC=C(NC(NC3=CC=C(OC4=CC(NC(C5CC5)=O)=NC=N4)C=C3)=O)C=C2C(F)(F)F)CC1
Appearance
Light yellow 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

Preparing Stock Solutions

The following data is based on the product molecular weight 569.59 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: Grigoriev VG, Thweatt R, Moerman EJ, Goldstein S. Expression of senescence- induced protein WS3-10 in vivo and in vitro. Exp Gerontol. 1996 Jan- Apr;31(1-2):145-57. doi: 10.1016/0531-5565(95)02015-2. PMID: 8706785. 2: Tan SM, Pumera M. Bottom-up Electrosynthesis of Highly Active Tungsten Sulfide (WS3-x) Films for Hydrogen Evolution. ACS Appl Mater Interfaces. 2016 Feb 17;8(6):3948-57. doi: 10.1021/acsami.5b11109. Epub 2016 Feb 4. PMID: 26844594. 3: Farag IF, Youssef NH, Elshahed MS. Global Distribution Patterns and Pangenomic Diversity of the Candidate Phylum "Latescibacteria" (WS3). Appl Environ Microbiol. 2017 May 1;83(10):e00521-17. doi: 10.1128/AEM.00521-17. PMID: 28314726; PMCID: PMC5411500. 4: Lang JP, Xu QF, Chen ZN, Abrahams BF. Assembly of a supramolecular cube, [(Cp*WS3Cu3)8 Cl8(CN)12Li4] from a preformed incomplete cubane-like compound [PPh4][Cp*WS3(CuCN)3]. J Am Chem Soc. 2003 Oct 22;125(42):12682-3. doi: 10.1021/ja036995d. PMID: 14558796. 5: Youssef NH, Farag IF, Rinke C, Hallam SJ, Woyke T, Elshahed MS. In Silico Analysis of the Metabolic Potential and Niche Specialization of Candidate Phylum "Latescibacteria" (WS3). PLoS One. 2015 Jun 3;10(6):e0127499. doi: 10.1371/journal.pone.0127499. PMID: 26039074; PMCID: PMC4454575. 6: Altowayti WAH, Algaifi HA, Bakar SA, Shahir S. The adsorptive removal of As (III) using biomass of arsenic resistant Bacillus thuringiensis strain WS3: Characteristics and modelling studies. Ecotoxicol Environ Saf. 2019 May 15;172:176-185. doi: 10.1016/j.ecoenv.2019.01.067. Epub 2019 Jan 29. PMID: 30708229. 7: Xu QF, Chen JX, Zhang WH, Ren ZG, Li HX, Zhang Y, Lang JP. Construction of [(eta5-C5Me5)WS3Cu3]-based supramolecular compounds from preformed incomplete cubane-like clusters [PPh4][(eta5-C5Me5)WS3(CuX)3] (X = CN, Br). Inorg Chem. 2006 May 15;45(10):4055-64. doi: 10.1021/ic060115p. PMID: 16676966. 8: Zhou LK, Liu Q, Zhao X, Hu FL, Liu SC, Ren ZG, Sun ZR, Lang JP. Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(I) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties. Dalton Trans. 2014 Mar 28;43(12):4734-44. doi: 10.1039/c3dt53320d. PMID: 24473639. 9: Liu Q, Ren ZG, Deng L, Zhang WH, Zhao X, Sun ZR, Lang JP. Solvent effect- driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses. Dalton Trans. 2015 Jan 7;44(1):130-7. doi: 10.1039/c4dt02725f. PMID: 25353691. 10: Zhang Z, Qiu Y, Yan W, Zhou Z, Yao Y, Liu X, Sun J, Li Y. Synthesis of crystalline WS3 with a layered structure and desert-rose-like morphology. Nanoscale Adv. 2022 Feb 17;4(6):1626-1631. doi: 10.1039/d1na00558h. PMID: 36134377; PMCID: PMC9418338.