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MedKoo CAT#: 574230

CAS#: 2219324-71-5

Description: BB-Cl-Yne is a cell-permeable derivative of the protein arginine deiminase (PAD) inhibitor BB-Cl-amidine that contains an alkyne moiety for use in click chemistry reactions. BB-Cl-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.

Price and Availability

Size Price Shipping out time Quantity
1mg USD 425 2 Weeks
5mg USD 950 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2020-10-29. Prices are subject to change without notice.

BB-Cl-Yne, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.

Chemical Structure


Theoretical Analysis

MedKoo Cat#: 574230
Name: BB-Cl-Yne
CAS#: 2219324-71-5
Chemical Formula: C28H26ClN5O
Exact Mass: 483.1826
Molecular Weight: 484.0
Elemental Analysis: C, 69.49; H, 5.41; Cl, 7.32; N, 14.47; O, 3.31

Synonym: BB-Cl-Yne

IUPAC/Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide


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

SMILES Code: 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

Technical Data

Solid powder

>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).

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:


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).