Caficrestat | CAS#1355612-71-3 | Relaxin Antagonist

MedKoo Cat#: 573537 | Name: AT-001

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Description:

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

Caficrestat, also known as AT-001, is an aldose reductase inhibitor and relaxin hormone receptor antagonist that may slow growth of androgen-independent human prostate tumor xenografts. AT-001, administered subcutaneously, suppressed PC3 xenograft growth by up to 60%. AT-001 also synergized with docetaxel, standard first-line chemotherapy for HRPC, to suppress tumor growth by more than 98% in PC3 xenografts via a mechanism involving the downregulation of hypoxia-inducible factor 1 alpha and the hypoxia-induced response.

Chemical Structure

AT-001

CAS#1355612-71-3

Theoretical Analysis

MedKoo Cat#: 573537

Name: AT-001

CAS#: 1355612-71-3

Chemical Formula: C17H10F3N5O3S

Exact Mass: 421.0456

Molecular Weight: 421.35

Elemental Analysis: C, 48.46; H, 2.39; F, 13.53; N, 16.62; O, 11.39; S, 7.61

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 350.00	2 Weeks
10mg	USD 625.00	2 Weeks

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Related CAS #

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Synonym

Aldose reductase-IN-1, AT 001; AT001; AT-001; Caficrestat;

IUPAC/Chemical Name

(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8- dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid

InChi Key

YRGPAXAVTDMKDK-UHFFFAOYSA-N

InChi Code

InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)

SMILES Code

O=C(O)CC1=NN(CC2=NC3=CC(C(F)(F)F)=CC=C3S2)C(C4=NC=CN=C41)=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 (25mg/mL)/

Shelf Life

>3 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

Certificate of Analysis

View CoA: current batch, Lot#M9C09E25

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 421.35 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: Gopal K, Karwi QG, Tabatabaei Dakhili SA, Wagg CS, Zhang L, Sun Q, Saed CT, Panidarapu S, Perfetti R, Ramasamy R, Ussher JR, Lopaschuk GD. Aldose reductase inhibition alleviates diabetic cardiomyopathy and is associated with a decrease in myocardial fatty acid oxidation. Cardiovasc Diabetol. 2023 Mar 28;22(1):73. doi: 10.1186/s12933-023-01811-w. PMID: 36978133; PMCID: PMC10053619. 2: Zhang H, Fang T, Yao X, Li X, Zhu W. Catalytic Amounts of an Antibacterial Monomer Enable the Upcycling of Poly(Ethylene Terephthalate) Waste. Adv Mater. 2023 May;35(20):e2210758. doi: 10.1002/adma.202210758. Epub 2023 Mar 23. PMID: 36809549. 3: Januzzi JL Jr, Butler J, Del Prato S, Ezekowitz JA, Ibrahim NE, Lam CSP, Lewis GD, Marwick TH, Rosenstock J, Tang WHW, Zannad F, Lawson F, Perfetti R, Urbinati A. Rationale and design of the Aldose Reductase Inhibition for Stabilization of Exercise Capacity in Heart Failure Trial (ARISE-HF) in patients with high-risk diabetic cardiomyopathy. Am Heart J. 2023 Feb;256:25-36. doi: 10.1016/j.ahj.2022.11.003. Epub 2022 Nov 11. PMID: 36372245. 4: Fung E, Lui LT, Huang L, Cheng KF, Lau GHW, Chung YT, Ahmadabadi BN, Xie S, Lee JSW, Hui E, So WY, Sung JJY, King I, Goggins WB, Chan Q, Järvelin MR, Ma RCW, Chow E, Kwok T. Characterising frailty, metrics of continuous glucose monitoring, and mortality hazards in older adults with type 2 diabetes on insulin therapy (HARE): a prospective, observational cohort study. Lancet Healthy Longev. 2021 Nov;2(11):e724-e735. doi: 10.1016/S2666-7568(21)00251-8. Epub 2021 Nov 3. PMID: 36098029. 5: Gupta SK, Tripathi PK. CADD Studies in the Discovery of Potential ARI (Aldose Reductase Inhibitors) Agents for the Treatment of Diabetic Complications. Curr Diabetes Rev. 2022 Aug 18. doi: 10.2174/1573399819666220818163758. Epub ahead of print. PMID: 35993470. 6: Gaztanaga J, Ramasamy R, Schmidt AM, Fishman G, Schendelman S, Thangavelu K, Perfetti R, Katz SD. A pilot open-label study of aldose reductase inhibition with AT-001 (caficrestat) in patients hospitalized for COVID-19 infection: Results from a registry-based matched-control analysis. Diabetes Metab Syndr. 2021 Nov-Dec;15(6):102328. doi: 10.1016/j.dsx.2021.102328. Epub 2021 Oct 30. PMID: 34752935; PMCID: PMC8556062. 7: Coyle J, Igbinomwanhia E, Sanchez-Nadales A, Danciu S, Chu C, Shah N. A Recovered Case of COVID-19 Myocarditis and ARDS Treated With Corticosteroids, Tocilizumab, and Experimental AT-001. JACC Case Rep. 2020 Jul 15;2(9):1331-1336. doi: 10.1016/j.jaccas.2020.04.025. Epub 2020 May 3. PMID: 32368755; PMCID: PMC7196388. 8: Ferrari F, Cerlesi MC, Malfacini D, Asth L, Gavioli EC, Journigan BV, Kamakolanu UG, Meyer ME, Yasuda D, Polgar WE, Rizzi A, Guerrini R, Ruzza C, Zaveri NT, Calo G. In vitro functional characterization of novel nociceptin/orphanin FQ receptor agonists in recombinant and native preparations. Eur J Pharmacol. 2016 Dec 15;793:1-13. doi: 10.1016/j.ejphar.2016.10.025. Epub 2016 Oct 22. PMID: 27780725; PMCID: PMC5555400. 9: Neschadim A, Pritzker LB, Pritzker KP, Branch DR, Summerlee AJ, Trachtenberg J, Silvertown JD. Relaxin receptor antagonist AT-001 synergizes with docetaxel in androgen-independent prostate xenografts. Endocr Relat Cancer. 2014 May 8;21(3):459-71. doi: 10.1530/ERC-14-0088. PMID: 24812057. 10: Li XM. Complementary and alternative medicine in pediatric allergic disorders. Curr Opin Allergy Clin Immunol. 2009 Apr;9(2):161-7. doi: 10.1097/ACI.0b013e328329226f. PMID: 19295428; PMCID: PMC2770271. 11: Li XM, Brown L. Efficacy and mechanisms of action of traditional Chinese medicines for treating asthma and allergy. J Allergy Clin Immunol. 2009 Feb;123(2):297-306; quiz 307-8. doi: 10.1016/j.jaci.2008.12.026. PMID: 19203653; PMCID: PMC2748395. 12: Cambron JA, Hawk C, Evans R, Long CR. Recruitment and accrual of women in a placebo-controlled clinical pilot study on manual therapy. J Manipulative Physiol Ther. 2004 Jun;27(5):299-305. doi: 10.1016/j.jmpt.2004.04.003. PMID: 15195037.