WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H526802
CAS#: 333352-59-3
Description: NBD-557 is a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4.
Hodoodo Cat#: H526802
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
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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: |
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.
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: |
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.