WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561126
CAS#: 1252637-35-6
Description: Petesicatib, also known as RG-7625 and RO-5459072, is a cathepsin inhibitor drug candidate. CatS activity was significantly elevated in tear fluid, but not other biocompartments, was inversely associated with exocrinic function in pSS patients and could significantly be suppressed by RO5459072. Moreover, CatS inhibition by RO5459072 led to strong and dose-dependent suppression of SS-A/SS-B-specific T cell effector functions and cytokine secretion by CD14+ monocytes.
Hodoodo Cat#: H561126
Name: Petesicatib
CAS#: 1252637-35-6
Chemical Formula: C25H23F6N5O4S
Exact Mass: 603.14
Molecular Weight: 603.540
Elemental Analysis: C, 49.75; H, 3.84; F, 18.89; N, 11.60; O, 10.60; S, 5.31
Synonym: Petesicatib; RG-7625; RG 7625; RG7625; RO-5459072; RO 5459072; RO5459072;
IUPAC/Chemical Name: (2S,4R)-N-(1-cyanocyclopropyl)-4-((4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl)sulfonyl)-1-(1-(trifluoromethyl)cyclopropane-1-carbonyl)pyrrolidine-2-carboxamide
InChi Key: KXAAIORSMACJSI-AEFFLSMTSA-N
InChi Code: InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1
SMILES Code: O=C(N1[C@H](C(NC2(C#N)CC2)=O)C[C@@H](S(=O)(C3=CC=C(C4=CN(C)N=C4)C=C3C(F)(F)F)=O)C1)C5(C(F)(F)F)CC5
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:
| Biological target: | |
| In vitro activity: | |
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The following data is based on the product molecular weight 603.54 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: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Kratochwil NA, Stillhart C, Diack C, Nagel S, Al Kotbi N, Frey N. Population pharmacokinetic analysis of RO5459072, a low water-soluble drug exhibiting complex food-drug interactions. Br J Clin Pharmacol. 2021 Sep;87(9):3550-3560. doi: 10.1111/bcp.14771. Epub 2021 Mar 10. PMID: 33576513; PMCID: PMC8451882.
2: Mavragani CP, Moutsopoulos HM. Sjögren's syndrome: Old and new therapeutic targets. J Autoimmun. 2020 Jun;110:102364. doi: 10.1016/j.jaut.2019.102364. Epub 2019 Dec 9. PMID: 31831255.
3: Hargreaves P, Daoudlarian D, Theron M, Kolb FA, Manchester Young M, Reis B, Tiaden A, Bannert B, Kyburz D, Manigold T. Differential effects of specific cathepsin S inhibition in biocompartments from patients with primary Sjögren syndrome. Arthritis Res Ther. 2019 Jul 18;21(1):175. doi: 10.1186/s13075-019-1955-2. PMID: 31319889; PMCID: PMC6637481.
4: Theron M, Bentley D, Nagel S, Manchester M, Gerg M, Schindler T, Silva A, Ecabert B, Teixeira P, Perret C, Reis B. Pharmacodynamic Monitoring of RO5459072, a Small Molecule Inhibitor of Cathepsin S. Front Immunol. 2017 Jul 17;8:806. doi: 10.3389/fimmu.2017.00806. PMID: 28769925; PMCID: PMC5512459.
5: Tato M, Kumar SV, Liu Y, Mulay SR, Moll S, Popper B, Eberhard JN, Thomasova D, Rufer AC, Gruner S, Haap W, Hartmann G, Anders HJ. Cathepsin S inhibition combines control of systemic and peripheral pathomechanisms of autoimmune tissue injury. Sci Rep. 2017 Jun 5;7(1):2775. doi: 10.1038/s41598-017-01894-y. PMID: 28584258; PMCID: PMC5459853.
