MedKoo Cat#: 574206 | Name: BB-F-Yne
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Description:

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

BB-F-Yne is a cell-permeable derivative of the protein arginine diminase (PAD) inhibitor BB-Cl-amidine that contains an alkyne moiety for use in click chemistry reactions. BB-F-Yne inhibits PAD1-4 and has been used for labeling PADs in cell-free and cell-based assays, followed by click reactions with azide-modified TAMRA or biotin reporters.

Chemical Structure

BB-F-Yne
BB-F-Yne
CAS#2219331-30-1

Theoretical Analysis

MedKoo Cat#: 574206

Name: BB-F-Yne

CAS#: 2219331-30-1

Chemical Formula: C28H26FN5O

Exact Mass: 467.2100

Molecular Weight: 467.55

Elemental Analysis: C, 71.93; H, 5.61; F, 4.06; N, 14.98; O, 3.42

Price and Availability

Size Price Availability Quantity
1mg USD 450.00 2 Weeks
5mg USD 1,250.00 2 Weeks
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Related CAS #
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Synonym
BB-F-Yne; Click Tag™ BB-F-Yne
IUPAC/Chemical Name
N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
InChi Key
AVWXDAJEHXZGSV-VWLOTQADSA-N
InChi Code
InChI=1S/C28H26FN5O/c1-2-19-9-11-20(12-10-19)21-13-15-22(16-14-21)28(35)34-25(8-5-17-31-26(30)18-29)27-32-23-6-3-4-7-24(23)33-27/h1,3-4,6-7,9-16,25H,5,8,17-18H2,(H2,30,31)(H,32,33)(H,34,35)/t25-/m0/s1
SMILES Code
O=C(N[C@@H](CCCNC(CF)=N)C1=NC2=C(C=CC=C2)N1)C(C=C3)=CC=C3C4=CC=C(C#C)C=C4
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
>3 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 467.55 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. Nemmara, V.V., Subramanian, V., Muth, A., et al. The development of benzimidazole-based clickable probes for the efficient labeling of cellular protein arginine deiminases (PADs). ACS Chem. Biol. 13(3), 712-722 (2018).