A clickable PAD inhibitor
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BB-Cl-Yne

Item No. 25378

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
CAS Number
2219324-71-5
Synonyms
  • Click TagTM BB-Cl-Yne
Molecular Formula
C28H26ClN5O
Formula Weight
484.0
Purity
≥98%
Formulation (Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 20 mg/mlDMF:PBS (pH 7.2) (1:5): 0.16 mg/mlDMSO: 5 mg/ml
λmax
282 nm
SMILES
O=C(N[C@@H](CCCNC(CCl)=N)C1=NC2=C(C=CC=C2)N1)C(C=C3)=CC=C3C4=CC=C(C#C)C=C4
InChi Code
InChI=1S/C28H26ClN5O/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
InChi Key
RBCGEWKNPOWJEI-VWLOTQADSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    500 µg

    $121

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    1 mg

    $193

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    5 mg

    $667

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    Product Description

    BB-Cl-Yne is a cell-permeable derivative of the protein arginine deiminase (PAD) inhibitor BB-Cl-amidine (Item No. 17079) that contains an alkyne moiety for use in click chemistry reactions.1 BB-Cl-Yne inhibits PAD1-4 with kinact/KI values of 6,400, 3,600, 10,800, and 4,900 M-1min-1, respectively. It has been used for labeling PADs in cell-free and cell-based assays, followed by click reactions with azide-modified TAMRA reporters or biotin capture reagents.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    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).