Rifalazil

• CAS: 129791-92-0
• Catalog Number: ACM129791920
• Category: Inhibitors
• Molecular Weight: 941.07
• Molecular Formula: C₅₁H₆₄N₄O₁₃
• Description: Rifalazil (KRM-1648; ABI-1648), a rifamycin derivative, inhibits the bacterial DNA-dependent RNA polymerase and kills bacterial cells by blocking off the β-subunit in RNA polymerase. Rifalazil (KRM-1648; ABI-1648) is an antibiotic, exhibits high potency against mycobacteria, gram-positive bacteria, Helicobacter pylori, C. pneumoniae and C. trachomatis with MIC values from 0.00025 to 0.0025 μg/ml. Rifalazil (KRM-1648; ABI-1648) has the potential for the treatment of Chlamydia infection, Clostridium difficile associated diarrhea (CDAD), and tuberculosis (TB).
• Synonyms: RIFALAZIL;KRM 1648;3-Hydroxy-5-(4-isobutylpiperazinyl)benzoxazinorifamycin;5,12-Dihydroxy-2,4-dimethyl-10-[4-(2-methyl-propyl)-l-piperazinyl]-2,7-[oxy(5-acetoxy-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxo-l,ll,13-pentadecatriene-l,15-diyl)imino]-6H-benzofuro[4,5-a]phenoxazine-l(2H),6-dione;1-Deoxy-1-dehydro-1-oxo-3-hydroxy-5-[4-(2-methylpropyl)piperazino]rifamycin VIII
• Canonical SMILES: CC(C)CN(CC1)CCN1C2=CC(O3)=C(C(O)=C2)N=C(C3=C(NC(/C(C)=C\C=C\[C@@H]([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C)O5)OC)C)OC(C)=O)C)=O)C6=O)C7=C6C(O)=C(C)C5=C7C4=O
• Appearance: Solid
• Storage: 4°C, sealed storage, away from moisture*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture).
• Shipping: Can be shipped at room temperature, where not in use may vary.

Custom Q&A

What is the molecular formula of Rifalazil according to the reference?

The molecular formula of Rifalazil is C51H64N4O13.

When was Rifalazil created and modified according to the reference?

Rifalazil was created on January 15, 2019, and modified on December 30, 2023.

What is the molecular weight of Rifalazil according to PubChem?

The molecular weight of Rifalazil is 941.1 g/mol.

What is the IUPAC Name of Rifalazil?

The IUPAC Name of Rifalazil is [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-[4-(2-methylpropyl)piperazin-1-yl]-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1 4,7 .0 5,36 .0 26,35 .0 28,33 ]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate.

What is the Canonical SMILES of Rifalazil?

The Canonical SMILES of Rifalazil is CC1C=CC=C(C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C(C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC(C)C)O3)C.

What is another identifier for Rifalazil given in the reference?

Another identifier for Rifalazil is CAS 129791-92-0.

What is the XLogP3-AA value of Rifalazil?

The XLogP3-AA value of Rifalazil is 3.3.

How many hydrogen bond donor counts does Rifalazil have?

Rifalazil has 5 hydrogen bond donor counts.

What is the exact mass of Rifalazil?

The exact mass of Rifalazil is 940.44698811 g/mol.

What is the topological polar surface area of Rifalazil?

The topological polar surface area of Rifalazil is 226 Ų.