WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H124494
CAS#: 1001314-13-1
Description: Rifasutenizol (TNP-2198) is a potent and orally bioavailable dual-targeted antibacterial agent.
Hodoodo Cat#: H124494
Name: Rifasutenizol
CAS#: 1001314-13-1
Chemical Formula: C48H61N7O13
Exact Mass: 943.43
Molecular Weight: 944.050
Elemental Analysis: C, 61.07; H, 6.51; N, 10.39; O, 22.03
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Synonym: TNP-2198; 2G83RZK9U6; 1001314-13-1; Rifasutenizol; rifasutenizol [INN]
IUPAC/Chemical Name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
InChi Key: GVNMWVKTEANXFY-AIGATTFSSA-N
InChi Code: InChI=1S/C48H61N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h11-14,21-23,25-27,31,39-40,43,52,57-59H,15-20H2,1-10H3,(H,50,62)/b12-11+,21-14+,24-13-/t23-,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1
SMILES Code: O=C(C)O[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C(NC(C(C2=C3C4=C(O[C@](C)(O/C=C/[C@H](OC)[C@H]1C)C4=O)C(C)=C2O)=O)=C5C3=NC6(CCN(CCN7C([N+]([O-])=O)=CN=C7C)CC6)N5)=O)/C
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 944.05 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: Nazli A, He DL, Xu H, Wang ZP, He Y. A Comparative Insight on the Newly
Emerging Rifamycins: Rifametane, Rifalazil, TNP-2092 and TNP-2198. Curr Med
Chem. 2022;29(16):2846-2862. doi: 10.2174/0929867328666210806114949. PMID:
34365945.
2: Ma Z, He S, Yuan Y, Zhuang Z, Liu Y, Wang H, Chen J, Xu X, Ding C, Molodtsov
V, Lin W, Robertson GT, Weiss WJ, Pulse M, Nguyen P, Duncan L, Doyle T, Ebright
RH, Lynch AS. Design, Synthesis, and Characterization of TNP-2198, a Dual-
Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against
Microaerophilic and Anaerobic Bacterial Pathogens. J Med Chem. 2022 Mar
24;65(6):4481-4495. doi: 10.1021/acs.jmedchem.1c02045. Epub 2022 Feb 17. PMID:
35175750; PMCID: PMC8958509.