NBD-14189 | CAS#unknown | HIV‑1 gp120 Antagonist

MedKoo Cat#: 465658 | Name: NBD-14189

Description:

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

NBD-14189 is a HIV‑1 gp120 Antagonist, which also Inhibit HIV‑1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.

Chemical Structure

NBD-14189

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465658

Name: NBD-14189

CAS#: unknown

Chemical Formula: C18H16F4N4O2S

Exact Mass: 428.0930

Molecular Weight: 428.41

Elemental Analysis: C, 50.47; H, 3.76; F, 17.74; N, 13.08; O, 7.47; S, 7.48

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 #

No Data

Synonym

NBD-14189; NBD14189; NBD 14189;

IUPAC/Chemical Name

N-(2-amino-1-(4-(hydroxymethyl)thiazol-2-yl)ethyl)-5-(3-fluoro-4-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxamide

InChi Key

ZKOITYDZLQYLNI-UHFFFAOYSA-N

InChi Code

InChI=1S/C18H16F4N4O2S/c19-12-5-9(1-2-11(12)18(20,21)22)13-3-4-14(25-13)16(28)26-15(6-23)17-24-10(7-27)8-29-17/h1-5,8,15,25,27H,6-7,23H2,(H,26,28)

SMILES Code

NCC(NC(C1=CC=C(C2=CC(F)=C(C(F)(F)F)C=C2)N1)=O)C3=NC(CO)=CS3

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 428.41 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.

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: Losada N, Ruiz FX, Curreli F, Gruber K, Pilch A, Das K, Debnath AK, Arnold E. HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J Med Chem. 2021 Nov 4. doi: 10.1021/acs.jmedchem.1c01104. Epub ahead of print. PMID: 34735153. 2: Curreli F, Ahmed S, Benedict Victor SM, Iusupov IR, Belov DS, Markov PO, Kurkin AV, Altieri A, Debnath AK. Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation. J Med Chem. 2020 Feb 27;63(4):1724-1749. doi: 10.1021/acs.jmedchem.9b02149. Epub 2020 Feb 17. PMID: 32031803; PMCID: PMC7703574. 3: Curreli F, Belov DS, Kwon YD, Ramesh R, Furimsky AM, O'Loughlin K, Byrge PC, Iyer LV, Mirsalis JC, Kurkin AV, Altieri A, Debnath AK. Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120. Eur J Med Chem. 2018 Jun 25;154:367-391. doi: 10.1016/j.ejmech.2018.04.062. Epub 2018 May 12. PMID: 29860061; PMCID: PMC5993640.