SSAA09E2 | CAS#883944-52-3 | SARS-CoV inhibitor

SSAA09E2
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 462295

CAS#: 883944-52-3

Description: SSAA09E2 is a novel inhibitor of SARS-CoV replication, acting by blocking early interactions of SARS-S with the receptor for SARS-CoV, Angiotensin Converting Enzyme-2 (ACE2).

Chemical Structure

SSAA09E2

CAS# 883944-52-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 462295
Name: SSAA09E2
CAS#: 883944-52-3
Chemical Formula: C16H20N4O2
Exact Mass: 300.16
Molecular Weight: 300.360
Elemental Analysis: C, 63.98; H, 6.71; N, 18.65; O, 10.65

Price and Availability

Size	Price	Availability
5mg	USD 300	2 Weeks
10mg	USD 500	2 Weeks
25mg	USD 775	2 Weeks
50mg	USD 1200	2 Weeks
100mg	USD 1750	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: SSAA-09E2; SSAA 09E2; SSAA09E2

IUPAC/Chemical Name: N-[[4-(4-Methyl-1-piperazinyl)phenyl]methyl]-5-isoxazolecarboxamide

InChi Key: OMRXBNSVRJWWAZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H20N4O2/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)12-17-16(21)15-6-7-18-22-15/h2-7H,8-12H2,1H3,(H,17,21)

SMILES Code: O=C(C1=CC=NO1)NCC2=CC=C(N3CCN(C)CC3)C=C2

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: >3 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:

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	SSAA09E2 blocks early interactions of SARS-S with the receptor ACE2.
In vitro activity:	This study employed molecular docking to analyze the binding of SSAA09E2 and Nilotinib with the druggable pocket of the ACE2-receptor-binding domain (RBD) complex. Results showed that both Nilotinib and SSAA09E2 could induce significant conformational changes in the ACE2-RBD complex, intervene with the hydrogen bonds, and influence the flexibility of proteins. Reference: Biophys J. 2021 Jul 20;120(14):2793-2804. https://pubmed.ncbi.nlm.nih.gov/34214539/
In vivo activity:	To be determined

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	125.0	416.17

Preparing Stock Solutions

The following data is based on the product molecular weight 300.36 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:	1. Razizadeh M, Nikfar M, Liu Y. Small molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study. Biophys J. 2021 Jul 20;120(14):2793-2804. doi: 10.1016/j.bpj.2021.06.016. Epub 2021 Jun 30. PMID: 34214539; PMCID: PMC8241573. 2. Adedeji AO, Severson W, Jonsson C, Singh K, Weiss SR, Sarafianos SG. Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013 Jul;87(14):8017-28. doi: 10.1128/JVI.00998-13. Epub 2013 May 15. PMID: 23678171; PMCID: PMC3700180.
In vitro protocol:	1. Razizadeh M, Nikfar M, Liu Y. Small molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study. Biophys J. 2021 Jul 20;120(14):2793-2804. doi: 10.1016/j.bpj.2021.06.016. Epub 2021 Jun 30. PMID: 34214539; PMCID: PMC8241573. 2. Adedeji AO, Severson W, Jonsson C, Singh K, Weiss SR, Sarafianos SG. Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013 Jul;87(14):8017-28. doi: 10.1128/JVI.00998-13. Epub 2013 May 15. PMID: 23678171; PMCID: PMC3700180.
In vivo protocol:	To be determined

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1: Adedeji AO, Severson W, Jonsson C, Singh K, Weiss SR, Sarafianos SG. Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013;87(14):8017-8028. doi:10.1128/JVI.00998-13

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