MedKoo Cat#: 561147 | Name: MDK-3033

Description:

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

MDK-3033, also known as BoNT-IN-1, is a Botulinum neurotoxin A light chain (BoNTA LC) inhibitor. The last four digits of the compound's CAS registry number are used in its name. MDK-3033 shows potential as a BoNT therapeutic.

Chemical Structure

MDK-3033
MDK-3033
CAS#694443-03-3

Theoretical Analysis

MedKoo Cat#: 561147

Name: MDK-3033

CAS#: 694443-03-3

Chemical Formula: C23H20N4O3

Exact Mass: 400.1535

Molecular Weight: 400.43

Elemental Analysis: C, 68.99; H, 5.03; N, 13.99; O, 11.99

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
MDK-3033; MDK3033; MDK 3033; BoNT IN 1; BoNT-IN-1; BoNT Inhibitor 1
IUPAC/Chemical Name
2-Methyl-7-[(4-methyl-pyridin-2-ylamino)-(2-nitro-phenyl)-methyl]-quinolin-8-ol
InChi Key
VXPGAZJVEWWXED-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H20N4O3/c1-14-11-12-24-20(13-14)26-22(17-5-3-4-6-19(17)27(29)30)18-10-9-16-8-7-15(2)25-21(16)23(18)28/h3-13,22,28H,1-2H3,(H,24,26)
SMILES Code
OC1=C2N=C(C)C=CC2=CC=C1C(NC3=NC=CC(C)=C3)C4=CC=CC=C4[N+]([O-])=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

Preparing Stock Solutions

The following data is based on the product molecular weight 400.43 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
1: Caglič D, Krutein MC, Bompiani KM, Barlow DJ, Benoni G, Pelletier JC, Reitz AB, Lairson LL, Houseknecht KL, Smith GR, Dickerson TJ. Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain. J Med Chem. 2014 Feb 13;57(3):669-76. doi: 10.1021/jm4012164. Epub 2014 Jan 15. PubMed PMID: 24387280; PubMed Central PMCID: PMC3983388.