NBD-557

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

MedKoo CAT#: 526802

CAS#: 333352-59-3

Description: NBD-557 is a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4.

Chemical Structure

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NBD-557
CAS# 333352-59-3
Instruction

Theoretical Analysis

MedKoo Cat#: 526802
Name: NBD-557
CAS#: 333352-59-3
Chemical Formula: C17H24BrN3O2
Exact Mass: 381.11
Molecular Weight: 382.302
Elemental Analysis: C, 53.41; H, 6.33; Br, 20.90; N, 10.99; O, 8.37

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-557; NBD 557; NBD557.

IUPAC/Chemical Name: N1-(4-bromophenyl)-N2-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide

InChi Key: QQRFLGRIDNNARB-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)

SMILES Code: O=C(NC1=CC=C(Br)C=C1)C(NC2CC(C)(C)NC(C)(C)C2)=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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 382.30 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:

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1: 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.


2: Kwon YD, LaLonde JM, Yang Y, Elban MA, Sugawara A, Courter JR, Jones DM, Smith
AB 3rd, Debnath AK, Kwong PD. Crystal structures of HIV-1 gp120 envelope
glycoprotein in complex with NBD analogues that target the CD4-binding site. PLoS
One. 2014 Jan 28;9(1):e85940. doi: 10.1371/journal.pone.0085940. eCollection
2014. PubMed PMID: 24489681; PubMed Central PMCID: PMC3904841.


3: Singh IP, Chauthe SK. Small molecule HIV entry inhibitors: Part II. Attachment
and fusion inhibitors: 2004-2010. Expert Opin Ther Pat. 2011 Mar;21(3):399-416.
doi: 10.1517/13543776.2011.550876. Review. PubMed PMID: 21342055.


4: Schön A, Madani N, Klein JC, Hubicki A, Ng D, Yang X, Smith AB 3rd, Sodroski
J, Freire E. Thermodynamics of binding of a low-molecular-weight CD4 mimetic to
HIV-1 gp120. Biochemistry. 2006 Sep 12;45(36):10973-80. PubMed PMID: 16953583;
PubMed Central PMCID: PMC2504686.


5: Zhao Q, Ma L, Jiang S, Lu H, Liu S, He Y, Strick N, Neamati N, Debnath AK.
Identification of N-phenyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as
a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4.
Virology. 2005 Sep 1;339(2):213-25. PubMed PMID: 15996703.