WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561194
CAS#: 77308-57-7
Description: NSC-77053 is the first reported BoNT/E small molecule inhibitor. Botulinum neurotoxins (BoNT) are among the most poisonous substances known, and of the 7 serotypes (A-G) identified thus far at least 4 can cause death in humans.
Hodoodo Cat#: H561194
Name: NSC-77053
CAS#: 77308-57-7
Chemical Formula: C21H14O3
Exact Mass: 314.09
Molecular Weight: 314.340
Elemental Analysis: C, 80.24; H, 4.49; O, 15.27
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Synonym: NSC-77053; NSC77053; NSC 77053
IUPAC/Chemical Name: 2-(9H-fluorene-2-carbonyl)benzoic acid
InChi Key: BKERUEGGSAZGGP-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H14O3/c22-20(18-7-3-4-8-19(18)21(23)24)14-9-10-17-15(12-14)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2,(H,23,24)
SMILES Code: O=C(O)C1=CC=CC=C1C(C2=CC(CC3=C4C=CC=C3)=C4C=C2)=O
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: | |
In vivo activity: |
The following data is based on the product molecular weight 314.34 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: Zhou Y, McGillick BE, Teng YG, Haranahalli K, Ojima I, Swaminathan S, Rizzo RC. Identification of small molecule inhibitors of botulinum neurotoxin serotype E via footprint similarity. Bioorg Med Chem. 2016 Oct 15;24(20):4875-4889. doi: 10.1016/j.bmc.2016.07.031. Epub 2016 Jul 18. PubMed PMID: 27543389.