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Chemical structure of HCoV-229E-IN-1

GC62414

HCoV-229E-IN-1

Also known as (1R,2R,10R,13R,14R,17S,20R,21R,22R)-2,9,9,13,14-pentamethyl-7-[(1S)-1-phenylethyl]-20-prop-1-en-2-yl-5,6,7-triazahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylic acid

HCoV-229E-IN-1 is a potent inhibitor of HCoV-229E replication, with an EC50 of 0·65 μM and 0·6 μM in MTS and CPE cells, respectively

ChemicalCAS2639757-13-2MW583.85FormulaC38H53N3O2
CAS number
2639757-13-2
Molecular weight
583.85
Formula
C38H53N3O2
Solubility
DMSO ： 12·5 mg/mL (21·41 mM; Need ultrasonic)
InChIKey
JMXBHSQNTXTMLG-UWJDILLBSA-N
Catalogue number
GC62414
Brand
GLPBIO
Computed properties PubChem CID 162640851 · XLogP 9.8 · TPSA 68 Ų · H-bond donors 1
XLogP
9.8
TPSA
68 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
43

SMILES C[C@@H](C1=CC=CC=C1)N2C3=C(C[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4C3(C)C)C)C)C(=O)O)C(=C)C)C)N=N2

Computed descriptors from PubChem (CID 162640851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.