C562-1101

    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).


Price and Availability

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C562-1101 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 526484
Name: C562-1101
CAS#: 1094693-07-8
Chemical Formula: C22H27N3O5S
Exact Mass: 445.17
Molecular Weight: 445.53
Elemental Analysis: C, 59.31; H, 6.11; N, 9.43; O, 17.95; S, 7.20


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 Key: QVDUMVAPWXJBBL-UHFFFAOYSA-N

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


Technical Data

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).

Harmonized System Code:
293490


References

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.