WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130552
CAS#: Caspase-6 inhibitor 3a
Description: Caspase-6 inhibitor 3a is a novel, irreversible, potent, and selective inhibitor of caspase-6.
Hodoodo Cat#: H130552
Name: Caspase-6 inhibitor 3a
CAS#: Caspase-6 inhibitor 3a
Chemical Formula: C21H21F3N2O4S
Exact Mass: 454.12
Molecular Weight: 454.460
Elemental Analysis: C, 55.50; H, 4.66; F, 12.54; N, 6.16; O, 14.08; S, 7.05
This product is not in stock, which may be available by custom synthesis.
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Synonym: Caspase6 inhibitor 3a, Caspase 6 inhibitor 3a, Caspase-6 In 3a, Caspase6 In 3a, Caspase 6 In 3a, Caspase-6-In-3a, Caspase6-In-3a, C6 inhibitor 3a, C6 In 3a, C6-In-3a C6-inhibitor-3a
IUPAC/Chemical Name: (3R,5S)-5-Phenyl-N-(4-(trifluoromethoxy)phenyl)-1-(vinylsulfonyl)piperidine-3-carboxamide
InChi Key: ZPJPZBJLIIKUPK-IAGOWNOFSA-N
InChi Code: InChI=1S/C21H21F3N2O4S/c1-2-31(28,29)26-13-16(15-6-4-3-5-7-15)12-17(14-26)20(27)25-18-8-10-19(11-9-18)30-21(22,23)24/h2-11,16-17H,1,12-14H2,(H,25,27)/t16-,17-/m1/s1
SMILES Code: O=C([C@H]1CN(S(=O)(C=C)=O)C[C@H](C2=CC=CC=C2)C1)NC3=CC=C(OC(F)(F)F)C=C3
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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: | |
In vivo activity: |
The following data is based on the product molecular weight 454.46 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. Van Horn KS, Wang D, Medina-Cleghorn D, Lee PS, Bryant C, Altobelli C, Jaishankar P, Leung KK, Ng RA, Ambrose AJ, Tang Y, Arkin MR, Renslo AR. Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J Am Chem Soc. 2023 May 10;145(18):10015-10021. doi: 10.1021/jacs.2c12240. Epub 2023 Apr 27. PMID: 37104712; PMCID: PMC10176470.