MedKoo Cat#: 463616 | Name: HU-1a

Description:

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

HU-1a is a novel HIV-1 inhibitor, targeting the noncatalytic RVxF site of protein phosphatase 1.

Chemical Structure

HU-1a
HU-1a
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463616

Name: HU-1a

CAS#: unknown

Chemical Formula: C33H30F3N3O4

Exact Mass: 589.2188

Molecular Weight: 589.62

Elemental Analysis: C, 67.22; H, 5.13; F, 9.67; N, 7.13; O, 10.85

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
HU-1a; HU1a; HU 1a;
IUPAC/Chemical Name
(E)-1-(3,4-dimethoxybenzylidene)-N-(2-(3-(4-(trifluoromethyl)phenyl)ureido)ethyl)-2,3-dihydro-1H-cyclopenta[b]naphthalene-4-carboxamide
InChi Key
NXQJONOSENRTAY-OQKWZONESA-N
InChi Code
InChI=1S/C33H30F3N3O4/c1-42-28-14-7-20(18-29(28)43-2)17-22-8-13-26-27(22)19-21-5-3-4-6-25(21)30(26)31(40)37-15-16-38-32(41)39-24-11-9-23(10-12-24)33(34,35)36/h3-7,9-12,14,17-19H,8,13,15-16H2,1-2H3,(H,37,40)(H2,38,39,41)/b22-17+
SMILES Code
O=C(C1=C2C=CC=CC2=CC3=C1CC/C3=C\C4=CC=C(OC)C(OC)=C4)NCCNC(NC5=CC=C(C(F)(F)F)C=C5)=O
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 589.62 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: Lin X, Sajith AM, Wang S, Kumari N, Choy MS, Ahmad A, Cadet DR, Gu X, Ivanov AI, Peti W, Kulkarni A, Nekhai S. Structural Optimization of 2,3-Dihydro-1H-cyclopenta[b]quinolines Targeting the Noncatalytic RVxF Site of Protein Phosphatase 1 for HIV-1 Inhibition. ACS Infect Dis. 2020 Dec 11;6(12):3190-3211. doi: 10.1021/acsinfecdis.0c00511. Epub 2020 Dec 1. PMID: 33258581.