MedKoo Cat#: 565226 | Name: NPI64

Description:

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

NPI64 is a broad-spectrum coronavirus protease inhibitor which inhibits viral 3C and 3C-like protease.

Chemical Structure

NPI64
NPI64
CAS#1482494-72-3

Theoretical Analysis

MedKoo Cat#: 565226

Name: NPI64

CAS#: 1482494-72-3

Chemical Formula: C34H41N4NaO9S

Exact Mass: 704.2492

Molecular Weight: 704.77

Elemental Analysis: C, 57.94; H, 5.86; N, 7.95; Na, 3.26; O, 20.43; S, 4.55

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
NPI-64; NPI 64; NPI64
IUPAC/Chemical Name
Sodium (5S,8S,11S)-12-hydroxy-8-isobutyl-5-(naphthalen-1-ylmethyl)-3,6,9-trioxo-11-(((S)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazadodecane-12-sulfonate
InChi Key
HZWPPSQBEYHPTK-FUIXSDNHSA-M
InChi Code
InChI=1S/C34H42N4O9S.Na/c1-21(2)17-27(31(40)37-29(33(42)48(44,45)46)19-25-15-16-35-30(25)39)36-32(41)28(38-34(43)47-20-22-9-4-3-5-10-22)18-24-13-8-12-23-11-6-7-14-26(23)24;/h3-14,21,25,27-29,33,42H,15-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)(H,38,43)(H,44,45,46);/q;+1/p-1/t25-,27-,28-,29-,33?;/m0./s1
SMILES Code
O=S(C(O)[C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC([C@H](CC2=C3C=CC=CC3=CC=C2)NC(OCC4=CC=CC=C4)=O)=O)=O)([O-])=O.[Na+]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 704.77 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