MedKoo Cat#: 533016 | Name: KNI-1657

Description:

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

KNI-1657 is a potent and selective HIV-1 protease inhibitort (Anti-HIV-1 pNL4-3 EC50 = 3 nM). KNI-1657 is a Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitor against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. KNI-1657 showed high potency against lopinavir/ritonavir- or darunavir-resistant strains.

Chemical Structure

KNI-1657
KNI-1657
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 533016

Name: KNI-1657

CAS#: Unknown

Chemical Formula: C41H48N4O8S

Exact Mass: 756.3193

Molecular Weight: 756.92

Elemental Analysis: C, 65.06; H, 6.39; N, 7.40; O, 16.91; S, 4.24

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 #
No Data
Synonym
KNI-1657; KNI 1657; KNI1657;
IUPAC/Chemical Name
(R)-N-(2,6-dimethylbenzyl)-3-((2S,3S)-2-hydroxy-3-((S)-2-(7-methoxybenzofuran-2-carboxamido)-2-((R)-tetrahydrofuran-3-yl)acetamido)-4-phenylbutanoyl)-5,5-dimethylthiazolidine-4-carboxamide
InChi Key
ZNVSERMHCCYPMY-JZILQDPNSA-N
InChi Code
InChI=1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1
SMILES Code
O=C([C@H]1N(C([C@@H](O)[C@@H](NC([C@@H](NC(C2=CC3=CC=CC(OC)=C3O2)=O)[C@@H]4COCC4)=O)CC5=CC=CC=C5)=O)CSC1(C)C)NCC6=C(C)C=CC=C6C
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 756.92 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: Hidaka K, Kimura T, Sankaranarayanan R, Wang J, McDaniel KF, Kempf DJ, Kameoka M, Adachi M, Kuroki R, Nguyen JT, Hayashi Y, Kiso Y. Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J Med Chem. 2018 May 31. doi: 10.1021/acs.jmedchem.7b01709. [Epub ahead of print] PubMed PMID: 29852069.