MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 463815 | Name: CN-716 HCl

Description:

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

cn-716 is a novel Zika virus (ZIKV) NS2B-NS3pro protease inhibitor.

Chemical Structure

CN-716 HCl
CN-716 HCl
CAS#2077164-48-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 463815

Name: CN-716 HCl

CAS#: 2077164-48-6 (HCl)

Chemical Formula: C22H33BCl2N6O4

Exact Mass:

Molecular Weight: 527.25

Elemental Analysis: C, 50.12; H, 6.31; B, 2.05; Cl, 13.45; N, 15.94; O, 12.14

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.
Bulk Inquiry
Related CAS #
2077164-47-5 (free base) 2077164-48-6 (HCl)
Synonym
cn-716; cn716; cn 716; CN-716 HCl; CN-716 hydrochloride
IUPAC/Chemical Name
((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropanamido)-4-guanidinobutyl)boronic acid dihydrochloride
InChi Key
FOGGTYQDBVHVJX-JYRWABTFSA-N
InChi Code
InChI=1S/C22H31BN6O4.2ClH/c24-14-16-10-8-15(9-11-16)13-18(28-20(30)17-5-2-1-3-6-17)21(31)29-19(23(32)33)7-4-12-27-22(25)26;;/h1-3,5-6,8-11,18-19,32-33H,4,7,12-14,24H2,(H,28,30)(H,29,31)(H4,25,26,27);2*1H/t18-,19-;;/m0../s1
SMILES Code
N=C(N)NCCC[C@@H](B(O)O)NC([C@@H](NC(C1=CC=CC=C1)=O)CC2=CC=C(CN)C=C2)=O.[H]Cl.[H]Cl
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 527.25 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: Campos DMO , Bezerra KS , Esmaile SC , Fulco UL , Albuquerque EL , Oliveira JIN . Intermolecular interactions of cn-716 and acyl-KR-aldehyde dipeptide inhibitors against Zika virus. Phys Chem Chem Phys. 2020 Jul 21;22(27):15683-15695. doi: 10.1039/d0cp02254c. Epub 2020 Jul 3. PMID: 32618974. 2: Mahawaththa MC, Pearce BJG, Szabo M, Graham B, Klein CD, Nitsche C, Otting G. Solution conformations of a linked construct of the Zika virus NS2B-NS3 protease. Antiviral Res. 2017 Jun;142:141-147. doi: 10.1016/j.antiviral.2017.03.011. Epub 2017 Mar 21. PMID: 28336347. 3: Lei J, Hansen G, Nitsche C, Klein CD, Zhang L, Hilgenfeld R. Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor. Science. 2016 Jul 29;353(6298):503-5. doi: 10.1126/science.aag2419. Epub 2016 Jul 7. PMID: 27386922.