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MedKoo Cat#: 463774 | Name: BNM-III-170 bis-TFA salt

Description:

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

BNM-III-170 bis-TFA salt is a novel vaccine efficacy enhancer against stringent immunodeficiency virus challenge.

Chemical Structure

BNM-III-170 bis-TFA salt
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463774

Name: BNM-III-170 bis-TFA salt

CAS#: unknown

Chemical Formula: C25H26ClF7N6O6

Exact Mass:

Molecular Weight: 674.96

Elemental Analysis: C, 44.49; H, 3.88; Cl, 5.25; F, 19.70; N, 12.45; O, 14.22

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 #
1859189-54-0 (free base)
Synonym
BNM-III-170 bis-TFA salt; BNM III 170 bis-TFA salt; 5VG; 5 VG; 5-VG;
IUPAC/Chemical Name
N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R)-2-(((diaminomethylene)amino)methyl)-5-((methylamino)methyl)-2,3-dihydro-1H-inden-1-yl)oxalamide bis(2,2,2-trifluoroacetate)
InChi Key
HTLOHDUDQHMDET-BHASQYGXSA-N
InChi Code
InChI=1S/C21H24ClFN6O2.2C2HF3O2/c1-26-9-11-2-4-15-12(6-11)7-13(10-27-21(24)25)18(15)29-20(31)19(30)28-14-3-5-16(22)17(23)8-14;2*3-2(4,5)1(6)7/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27);2*(H,6,7)/t13-,18-;;/m1../s1
SMILES Code
CNCC1=CC(C[C@H](C/N=C(N)/N)[C@H]2NC(C(NC3=CC(F)=C(Cl)C=C3)=O)=O)=C2C=C1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=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 674.96 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: Chen J, Park J, Kirk SM, Chen HC, Li X, Lippincott DJ, Melillo B, Smith AB 3rd. Development of an Effective Scalable Enantioselective Synthesis of the HIV-1 Entry Inhibitor BNM-III-170 as the Bis-Trifluoroacetate Salt. Org Process Res Dev. 2019 Nov 15;23(11):2464-2469. doi: 10.1021/acs.oprd.9b00353. Epub 2019 Oct 7. PMID: 33013157; PMCID: PMC7531044.

View History

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