MedKoo Cat#: 561003 | Name: SM21-YH inhibitor

Description:

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

SM21-YH inhibitor is a highly potent antifungal agent (minimum inhibitory concentration (MIC) 0.2-1.6 µg/ml). In vitro, SM21 was toxic to fungi but not to various human cell lines or bacterial species and was active against Candida isolates that are resistant to existing antifungal agents. Moreover, SM21 was relatively more effective against biofilms of Candida spp. than the current antifungal agents. SM21-YH inhibitor and SM21 maleate are different molecules. Customer should not confuse each other

Chemical Structure

SM21-YH inhibitor
SM21-YH inhibitor
CAS#1352296-65-1 (perchlorate)

Theoretical Analysis

MedKoo Cat#: 561003

Name: SM21-YH inhibitor

CAS#: 1352296-65-1 (perchlorate)

Chemical Formula: C23H32ClNO5

Exact Mass:

Molecular Weight: 437.96

Elemental Analysis: C, 63.08; H, 7.37; Cl, 8.09; N, 3.20; O, 18.27

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 #
97248-65-2 (free base) 1352296-65-1 (perchlorate)
Synonym
SM21-YH inhibitor; SM21; SM-21; SM 21; SM21 perchlorate; Antibacterial agent 9;
IUPAC/Chemical Name
4-[(1E)-2-[4-(Dimethylamino)phenyl]ethenyl]-2,6-bis(1,1-dimethylethyl)-pyrylium perchlorate
InChi Key
VMHHIKFQHFTOTC-RRABGKBLSA-M
InChi Code
InChI=1S/C23H32NO.ClHO4/c1-22(2,3)20-15-18(16-21(25-20)23(4,5)6)10-9-17-11-13-19(14-12-17)24(7)8;2-1(3,4)5/h9-16H,1-8H3;(H,2,3,4,5)/q+1;/p-1/b10-9+;
SMILES Code
CC(C1=[O+]C(C(C)(C)C)=CC(/C=C/C2=CC=C(N(C)C)C=C2)=C1)(C)C.O=Cl(=O)([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 437.96 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: Wong SS, Kao RY, Yuen KY, Wang Y, Yang D, Samaranayake LP, Seneviratne CJ. In vitro and in vivo activity of a novel antifungal small molecule against Candida infections. PLoS One. 2014 Jan 22;9(1):e85836. doi: 10.1371/journal.pone.0085836. eCollection 2014. PubMed PMID: 24465737; PubMed Central PMCID: PMC3899067.