NBD-14189

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

MedKoo CAT#: 465658

CAS#: unknown

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

Chemical Structure

img
NBD-14189
CAS# unknown
Instruction

Theoretical Analysis

MedKoo Cat#: 465658
Name: NBD-14189
CAS#: unknown
Chemical Formula: C18H16F4N4O2S
Exact Mass: 428.09
Molecular Weight: 428.406
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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.