NBD-557

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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.


Price and Availability

Size Price Shipping out time Quantity
Inquire bulk and customized quantity

Pricing updated 2020-08-08. Prices are subject to change without notice.

NBD-557 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 526802
Name: NBD-557
CAS#: 333352-59-3
Chemical Formula: C17H24BrN3O2
Exact Mass: 381.1052
Molecular Weight: 382.302
Elemental Analysis: C, 53.41; H, 6.33; Br, 20.90; N, 10.99; O, 8.37


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


Technical Data

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


References

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.