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MedKoo Cat#: 562859 | Name: NBD-09027

Description:

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

NBD-09027 is a HIV-1 entry inhibitor.

Chemical Structure

NBD-09027
NBD-09027
CAS#1376434-43-3

Theoretical Analysis

MedKoo Cat#: 562859

Name: NBD-09027

CAS#: 1376434-43-3

Chemical Formula: C19H23ClN4O3S

Exact Mass: 422.1179

Molecular Weight: 422.92

Elemental Analysis: C, 53.96; H, 5.48; Cl, 8.38; N, 13.25; O, 11.35; S, 7.58

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
NBD-09027; NBD 09027; NBD09027;
IUPAC/Chemical Name
N1-(4-chlorophenyl)-N2-((5-(hydroxymethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide
InChi Key
XEDSYSDQIUMILN-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H23ClN4O3S/c1-11-15(10-25)28-19(22-11)16(14-4-2-3-9-21-14)24-18(27)17(26)23-13-7-5-12(20)6-8-13/h5-8,14,16,21,25H,2-4,9-10H2,1H3,(H,23,26)(H,24,27)
SMILES Code
O=C(NC1=CC=C(Cl)C=C1)C(NC(C2=NC(C)=C(CO)S2)C3NCCCC3)=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
>2 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 422.92 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: Curreli F, Kwon YD, Zhang H, Scacalossi D, Belov DS, Tikhonov AA, Andreev IA, Altieri A, Kurkin AV, Kwong PD, Debnath AK. Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. J Med Chem. 2015 Sep 10;58(17):6909-6927. doi: 10.1021/acs.jmedchem.5b00709. Epub 2015 Aug 28. PubMed PMID: 26301736; PubMed Central PMCID: PMC4676410. 2: Curreli F, Kwon YD, Zhang H, Yang Y, Scacalossi D, Kwong PD, Debnath AK. Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob Agents Chemother. 2014 Sep;58(9):5478-91. doi: 10.1128/AAC.03339-14. Epub 2014 Jul 7. PubMed PMID: 25001301; PubMed Central PMCID: PMC4135886.