WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526484

CAS#: 1094693-07-8

Description: C562-1101 is a novel potent inhibitor of botulinum neurotoxin serotype E (BoNT/E).

Chemical Structure

CAS# 1094693-07-8

Theoretical Analysis

MedKoo Cat#: 526484
Name: C562-1101
CAS#: 1094693-07-8
Chemical Formula: C22H27N3O5S
Exact Mass: 445.17
Molecular Weight: 445.530
Elemental Analysis: C, 59.31; H, 6.11; N, 9.43; O, 17.95; S, 7.20

Price and Availability

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 @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Synonym: C562-1101

IUPAC/Chemical Name: 2-[[(2,3-Dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]amino]-N-(2,3-dimethylphenyl)-4-methyl-pentanamide


InChi Code: InChI=1S/C22H27N3O5S/c1-13(2)11-18(21(26)23-17-8-6-7-14(3)15(17)4)24-31(28,29)16-9-10-19-20(12-16)30-22(27)25(19)5/h6-10,12-13,18,24H,11H2,1-5H3,(H,23,26)

SMILES Code: CC(C)CC(NS(=O)(C1=CC=C2N(C)C(OC2=C1)=O)=O)C(NC3=CC=CC(C)=C3C)=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

Product Data:

Preparing Stock Solutions

The following data is based on the product molecular weight 445.530000000000000000000000000000 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.

Recalculate based on batch purity %
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

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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.