WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H125053
CAS#: N/A
Description: TKB248 is a highly potent SARS-CoV-2 Mpro inhibitor with EC50 = 220 nM
Hodoodo Cat#: H125053
Name: TKB248
CAS#: N/A
Chemical Formula: C30H35F4N5O4S2
Exact Mass: 669.21
Molecular Weight: 669.750
Elemental Analysis: C, 53.80; H, 5.27; F, 11.35; N, 10.46; O, 9.56; S, 9.57
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.
Synonym: TKB248; TKB248; TKB248
IUPAC/Chemical Name: 2,2,2-trifluoro-N-((S)-1-((1R,2S,5S)-2-(((S)-1-(4-fluorobenzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl)acetamide
InChi Key: GDKLDALGJZVEKT-MCUUEWDYSA-N
InChi Code: InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1
SMILES Code: S=C([C@@H]1[C@@]2([H])C(C)(C)[C@@]2([H])CN1C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)N[C@@H](C[C@H]3C(NCC3)=O)C(C4=NC5=C(F)C=CC=C5S4)=O
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 669.75 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: Higashi-Kuwata N, Tsuji K, Hayashi H, Bulut H, Kiso M, Imai M, Ogata-Aoki H,
Ishii T, Kobayakawa T, Nakano K, Takamune N, Kishimoto N, Hattori SI, Das D,
Uemura Y, Shimizu Y, Aoki M, Hasegawa K, Suzuki S, Nishiyama A, Saruwatari J,
Shimizu Y, Sukenaga Y, Takamatsu Y, Tsuchiya K, Maeda K, Yoshimura K, Iida S,
Ozono S, Suzuki T, Okamura T, Misumi S, Kawaoka Y, Tamamura H, Mitsuya H.
Identification of SARS-CoV-2 Mpro inhibitors containing P1'
4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun. 2023
Feb 25;14(1):1076. doi: 10.1038/s41467-023-36729-0. PMID: 36841831; PMCID:
PMC9958325.
2: Tsuji K, Ishii T, Kobayakawa T, Higashi-Kuwata N, Shinohara K, Azuma C, Miura
Y, Nakano H, Wada N, Hattori SI, Bulut H, Mitsuya H, Tamamura H. Structure-
Activity Relationship Studies of SARS-CoV-2 Main Protease Inhibitors Containing
4-Fluorobenzothiazole-2-carbonyl Moieties. J Med Chem. 2023 Sep 27. doi:
10.1021/acs.jmedchem.3c00777. Epub ahead of print. PMID: 37756225.
