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MedKoo Biosciences/BS-181 HCl salt/406179/500mg

BS-181 is a highly selective CDK inhibitor for CDK7 with an IC(50) of 21 nmol/L. Testing of other CDKs as well as another 69 kinases showed that BS-181 only inhibited CDK2 at concentrations lower than 1 micromol/L, with CDK2 being inhibited 35-fold less potently (IC(50) 880 nmol/L) than CDK7. In MCF-7 cells, BS-181 inhibited the phosphorylation of CDK7 substrates, promoted cell cycle arrest and apoptosis to inhibit the growth of cancer cell lines, and showed antitumor effects in vivo.

MedKoo Cat#: 406179
Name: BS-181 HCl salt
CAS#: 1092443-52-1 (free base)
Chemical Formula: C22H34Cl2N6
Exact Mass:
Molecular Weight: 453.46
Elemental Analysis: C, 58.27; H, 7.56; Cl, 15.64; N, 18.53


Synonym: BS181; BS-181; BS 181; BS-181 HCl; BS-181 hydrochloride.

IUPAC/Chemical Name: N5-(6-aminohexyl)-N7-benzyl-3-isopropylpyrazolo[1,5-a]pyrimidine-5,7-diamine dihydrochloride

InChi Key: XYXAMTBYYTXHSO-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H32N6.2ClH/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23;;/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27);2*1H

SMILES Code: CC(C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=CC=C3)N2N=C1)C.[H]Cl.[H]Cl


Technical Data

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, not in water

Shelf Life:
>5 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).

Harmonized System Code:
293490


Additional Information

  
 
 
 


References

1: Ali S, Heathcote DA, Kroll SH, Jogalekar AS, Scheiper B, Patel H, Brackow J, Siwicka A, Fuchter MJ, Periyasamy M, Tolhurst RS, Kanneganti SK, Snyder JP, Liotta DC, Aboagye EO, Barrett AG, Coombes RC. The development of a selective cyclin-dependent kinase inhibitor that shows antitumor activity. Cancer Res. 2009 Aug 1;69(15):6208-15. doi: 10.1158/0008-5472.CAN-09-0301. Epub 2009 Jul 28. PubMed PMID: 19638587; PubMed Central PMCID: PMC2875168.

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