Resatorvid | TAK-242 | CAS#243984-11-4 | TLR4 inhibitor

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

MedKoo CAT#: 326750

CAS#: 243984-11-4

Description: Resatorvid, also known as TAK-242, is a cell-permeable inhibitor of TLR4 signaling.

Chemical Structure

Resatorvid

CAS# 243984-11-4

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 326750
Name: Resatorvid
CAS#: 243984-11-4
Chemical Formula: C15H17ClFNO4S
Exact Mass: 361.06
Molecular Weight: 361.810
Elemental Analysis: C, 49.80; H, 4.74; Cl, 9.80; F, 5.25; N, 3.87; O, 17.69; S, 8.86

Price and Availability

Size	Price	Availability
5mg	USD 450	2 Weeks
10mg	USD 750	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: TAK-242; TAK 242; TAK242; Resatorvid

IUPAC/Chemical Name: ethyl (R)-6-(N-(2-chloro-4-fluorophenyl)sulfamoyl)cyclohex-1-ene-1-carboxylate

InChi Key: LEEIJTHMHDMWLJ-CQSZACIVSA-N

InChi Code: InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1

SMILES Code: FC1=CC(Cl)=C(NS([C@@H]2CCCC=C2C(OCC)=O)(=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

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:	Resatorvid inhibits NO, TNF-α and IL-6 production with IC50s of 1.8 nM, 1.9 nM and 1.3 nM, respectively. Resatorvid downregulates expression of TLR4 downstream signaling molecules MyD88 and TRIF. Resatorvid inhibits autophagy, plays pivotal role in various inflammatory diseases, and provides neuroprotection in experimental traumatic brain injury treatment.
In vitro activity:	This study identified resatorvid as a novel hepatitis B virus inhibitor in vitro. These findings provide information on the development of a new class of anti-hepatitis B virus agents that act on host factors rather than viral enzymes. Reference: Front Cell Infect Microbiol. 2023 Feb 20;13:1118801. https://pubmed.ncbi.nlm.nih.gov/36891156/
In vivo activity:	Resatorvid appears to exert a neuroprotective effect after HIBD by inhibiting activation of autophagy and the release of inflammatory cytokines via inhibition of the TLR4/NF-κB signaling pathway. Reference: Neural Regen Res. 2020 Jul;15(7):1316-1325. https://pubmed.ncbi.nlm.nih.gov/31960818/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	100.0	276.38

Preparing Stock Solutions

The following data is based on the product molecular weight 361.81 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. Cai J, Li Y, Hu P, Xu R, Yuan H, Zhang W, Feng T, Liu R, Li W, Zhu C. Plerixafor and resatorvid inhibit hepatitis B virus in vitro by upregulating elongation factor Tu GTP-binding domain containing 2. Front Cell Infect Microbiol. 2023 Feb 20;13:1118801. doi: 10.3389/fcimb.2023.1118801. PMID: 36891156; PMCID: PMC9986551. 2. Kashani B, Zandi Z, Bashash D, Zaghal A, Momeny M, Poursani EM, Pourbagheri-Sigaroodi A, Mousavi SA, Ghaffari SH. Small molecule inhibitor of TLR4 inhibits ovarian cancer cell proliferation: new insight into the anticancer effect of TAK-242 (Resatorvid). Cancer Chemother Pharmacol. 2020 Jan;85(1):47-59. doi: 10.1007/s00280-019-03988-y. Epub 2019 Nov 30. PMID: 31786654. 3. Jiang LJ, Xu ZX, Wu MF, Dong GQ, Zhang LL, Gao JY, Feng CX, Feng X. Resatorvid protects against hypoxic-ischemic brain damage in neonatal rats. Neural Regen Res. 2020 Jul;15(7):1316-1325. doi: 10.4103/1673-5374.272615. PMID: 31960818; PMCID: PMC7047798. 4. Blohm-Mangone K, Burkett NB, Tahsin S, Myrdal PB, Aodah A, Ho B, Janda J, McComas M, Saboda K, Roe DJ, Dong Z, Bode AM, Petricoin EF 3rd, Calvert VS, Curiel-Lewandrowski C, Alberts DS, Wondrak GT, Dickinson SE. Pharmacological TLR4 Antagonism Using Topical Resatorvid Blocks Solar UV-Induced Skin Tumorigenesis in SKH-1 Mice. Cancer Prev Res (Phila). 2018 May;11(5):265-278. doi: 10.1158/1940-6207.CAPR-17-0349. Epub 2018 Feb 1. PMID: 29437671; PMCID: PMC5932085.
In vitro protocol:	1. Cai J, Li Y, Hu P, Xu R, Yuan H, Zhang W, Feng T, Liu R, Li W, Zhu C. Plerixafor and resatorvid inhibit hepatitis B virus in vitro by upregulating elongation factor Tu GTP-binding domain containing 2. Front Cell Infect Microbiol. 2023 Feb 20;13:1118801. doi: 10.3389/fcimb.2023.1118801. PMID: 36891156; PMCID: PMC9986551. 2. Kashani B, Zandi Z, Bashash D, Zaghal A, Momeny M, Poursani EM, Pourbagheri-Sigaroodi A, Mousavi SA, Ghaffari SH. Small molecule inhibitor of TLR4 inhibits ovarian cancer cell proliferation: new insight into the anticancer effect of TAK-242 (Resatorvid). Cancer Chemother Pharmacol. 2020 Jan;85(1):47-59. doi: 10.1007/s00280-019-03988-y. Epub 2019 Nov 30. PMID: 31786654.
In vivo protocol:	1. Jiang LJ, Xu ZX, Wu MF, Dong GQ, Zhang LL, Gao JY, Feng CX, Feng X. Resatorvid protects against hypoxic-ischemic brain damage in neonatal rats. Neural Regen Res. 2020 Jul;15(7):1316-1325. doi: 10.4103/1673-5374.272615. PMID: 31960818; PMCID: PMC7047798. 2. Blohm-Mangone K, Burkett NB, Tahsin S, Myrdal PB, Aodah A, Ho B, Janda J, McComas M, Saboda K, Roe DJ, Dong Z, Bode AM, Petricoin EF 3rd, Calvert VS, Curiel-Lewandrowski C, Alberts DS, Wondrak GT, Dickinson SE. Pharmacological TLR4 Antagonism Using Topical Resatorvid Blocks Solar UV-Induced Skin Tumorigenesis in SKH-1 Mice. Cancer Prev Res (Phila). 2018 May;11(5):265-278. doi: 10.1158/1940-6207.CAPR-17-0349. Epub 2018 Feb 1. PMID: 29437671; PMCID: PMC5932085.

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1: Feng Y, Gao J, Cui Y, Li M, Li R, Cui C, Cui J. Neuroprotective Effects of
Resatorvid Against Traumatic Brain Injury in Rat: Involvement of Neuronal
Autophagy and TLR4 Signaling Pathway. Cell Mol Neurobiol. 2016 Mar 10. [Epub
ahead of print] PubMed PMID: 26961544.

2: Zhang D, Li H, Li T, Zhou M, Hao S, Yan H, Yu Z, Li W, Li K, Hang C. TLR4
inhibitor resatorvid provides neuroprotection in experimental traumatic brain
injury: implication in the treatment of human brain injury. Neurochem Int. 2014
Sep;75:11-8. doi: 10.1016/j.neuint.2014.05.003. Epub 2014 May 20. PubMed PMID:
24858944.

3: Takeuchi T, Jinno F, Ebihara T, Moriya Y, Kadotani R, Tagawa Y, Kondo T, Itoh
T, Asahi S. Species differences of organic anion transporters involved in the
renal uptake of 4-amino-3-chlorophenyl hydrogen sulfate, a metabolite of
resatorvid, between rats and dogs. Biopharm Drug Dispos. 2013 May;34(4):236-46.
doi: 10.1002/bdd.1841. Epub 2013 May 7. PubMed PMID: 23529922.

4: Jinno F, Takeuchi T, Tagawa Y, Kondo T, Itoh T, Asahi S. Differences in the
pharmacokinetics of 4-amino-3-chlorophenyl hydrogen sulfate, a metabolite of
resatorvid, in rats and dogs. Drug Metab Dispos. 2012 Apr;40(4):648-54. doi:
10.1124/dmd.111.043729. Epub 2011 Dec 27. PubMed PMID: 22203697.

5: Matsunaga N, Tsuchimori N, Matsumoto T, Ii M. TAK-242 (resatorvid), a
small-molecule inhibitor of Toll-like receptor (TLR) 4 signaling, binds
selectively to TLR4 and interferes with interactions between TLR4 and its adaptor
molecules. Mol Pharmacol. 2011 Jan;79(1):34-41. doi: 10.1124/mol.110.068064. Epub
2010 Sep 29. PubMed PMID: 20881006.

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