SH5-07 | CAS#1456632-41-9 | Stat3 inhibitor

SH5-07
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 527860

CAS#: 1456632-41-9

Description: SH5-07 is a novel Stat3 inhibitor, suppressing human glioma and breast cancer phenotypes in vitro and in vivo.

Chemical Structure

SH5-07

CAS# 1456632-41-9

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 527860
Name: SH5-07
CAS#: 1456632-41-9
Chemical Formula: C29H28F5N3O5S
Exact Mass: 625.17
Molecular Weight: 625.610
Elemental Analysis: C, 55.68; H, 4.51; F, 15.18; N, 6.72; O, 12.79; S, 5.12

Price and Availability

Size	Price	Availability
5mg	USD 465	2 Weeks
10mg	USD 850	2 Weeks
25mg	USD 1400	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: SH5 07; SH507; SH5-07

IUPAC/Chemical Name: 4-[[(4-Cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-N-hydroxy-benzamide

InChi Key: QPSUYVALAOXFGL-UHFFFAOYSA-N

InChi Code: InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)

SMILES Code: O=C(NO)C1=CC=C(N(CC2=CC=C(C3CCCCC3)C=C2)C(CN(C)S(=O)(C4=C(F)C(F)=C(F)C(F)=C4F)=O)=O)C=C1

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, DMF, and ethanol

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:	SH5-07 is a STAT3 inhibitor (Ki = 10.46 µM). It is selective for STAT3 over STAT1 (Ki = >100 µM). SH5-07 prevents constitutively active STAT3 DNA binding in NIH3T3 fibroblast nuclear extracts (IC50 = 3.9 µM). It is cytotoxic to AR230 and imatinib-resistant AR230 chronic myeloid leukemia (CML) cells (IC50s = 8.1 and 7 µM, respectively) and a variety of glioblastoma cancer stem cells (CSCs; IC50s = 0.195-1.12 µM).
In vitro activity:	Diverse types of drugs had divergent effects on TgGST2, among which treatment with antifungal agents, anticarcinogens (one being SH5-07) and coccidiostats made the localization of TgGST2 appear in different forms, including dots, circles and rod shaped. Reference: Parasit Vectors. 2022 Dec 12;15(1):461. https://pubmed.ncbi.nlm.nih.gov/36510329/
In vivo activity:	The results of this study offer preclinical proof of concept for SH5-07 and SH4-54 as candidates for further development as cancer therapeutics. In mouse xenograft models of glioma and breast cancer, administration of SH5-07 or SH4-54 effectively inhibited tumor growth. Reference: Cancer Res. 2016 Feb 1;76(3):652-63. https://pubmed.ncbi.nlm.nih.gov/26088127/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	3.0	4.80
	DMSO	3.0	4.80
	Ethanol	3.0	4.80

Preparing Stock Solutions

The following data is based on the product molecular weight 625.61 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:	1. Ali AM, Gómez-Biagi RF, Rosa DA, Lai PS, Heaton WL, Park JS, Eiring AM, Vellore NA, de Araujo ED, Ball DP, Shouksmith AE, Patel AB, Deininger MW, O'Hare T, Gunning PT. Disarming an Electrophilic Warhead: Retaining Potency in Tyrosine Kinase Inhibitor (TKI)-Resistant CML Lines While Circumventing Pharmacokinetic Liabilities. ChemMedChem. 2016 Apr 19;11(8):850-61. doi: 10.1002/cmdc.201600021. Epub 2016 Mar 30. PMID: 27028877; PMCID: PMC4963206. 2. Yue P, Lopez-Tapia F, Paladino D, Li Y, Chen CH, Namanja AT, Hilliard T, Chen Y, Tius MA, Turkson J. Hydroxamic Acid and Benzoic Acid-Based STAT3 Inhibitors Suppress Human Glioma and Breast Cancer Phenotypes In Vitro and In Vivo. Cancer Res. 2016 Feb 1;76(3):652-63. doi: 10.1158/0008-5472.CAN-14-3558. Epub 2015 Jun 18. PMID: 26088127; PMCID: PMC4684502.
In vitro protocol:	1. Ali AM, Gómez-Biagi RF, Rosa DA, Lai PS, Heaton WL, Park JS, Eiring AM, Vellore NA, de Araujo ED, Ball DP, Shouksmith AE, Patel AB, Deininger MW, O'Hare T, Gunning PT. Disarming an Electrophilic Warhead: Retaining Potency in Tyrosine Kinase Inhibitor (TKI)-Resistant CML Lines While Circumventing Pharmacokinetic Liabilities. ChemMedChem. 2016 Apr 19;11(8):850-61. doi: 10.1002/cmdc.201600021. Epub 2016 Mar 30. PMID: 27028877; PMCID: PMC4963206.
In vivo protocol:	1. Yue P, Lopez-Tapia F, Paladino D, Li Y, Chen CH, Namanja AT, Hilliard T, Chen Y, Tius MA, Turkson J. Hydroxamic Acid and Benzoic Acid-Based STAT3 Inhibitors Suppress Human Glioma and Breast Cancer Phenotypes In Vitro and In Vivo. Cancer Res. 2016 Feb 1;76(3):652-63. doi: 10.1158/0008-5472.CAN-14-3558. Epub 2015 Jun 18. PMID: 26088127; PMCID: PMC4684502.

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1: Lopez-Tapia F, Brotherton-Pleiss C, Yue P, Murakami H, Costa Araujo AC, Reis Dos Santos B, Ichinotsubo E, Rabkin A, Shah R, Lantz M, Chen S, Tius MA, Turkson J. Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors. ACS Med Chem Lett. 2018 Feb 16;9(3):250-255. doi: 10.1021/acsmedchemlett.7b00544. eCollection 2018 Mar 8. PubMed PMID: 29541369; PubMed Central PMCID: PMC5846032.

2: Yue P, Lopez-Tapia F, Paladino D, Li Y, Chen CH, Namanja AT, Hilliard T, Chen Y, Tius MA, Turkson J. Hydroxamic Acid and Benzoic Acid-Based STAT3 Inhibitors Suppress Human Glioma and Breast Cancer Phenotypes In Vitro and In Vivo. Cancer Res. 2016 Feb 1;76(3):652-63. doi: 10.1158/0008-5472.CAN-14-3558. Epub 2015 Jun 18. PubMed PMID: 26088127; PubMed Central PMCID: PMC4684502.

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