MedKoo Cat#: 402210 | Name: CDKI-83

Description:

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

CDKI-83 is a potent CDK9 inhibitor. The compound shows effective anti-proliferative activity in human tumour cell lines with GI50 <1 μM, and is capable of inducing apoptosis in A2780 human ovarian cancer cells as determined by the activated caspase-3, Annexin V/PI double staining and accumulated cells at the sub-G1 phase of cellcycle. The research results suggest that combined inhibition of CDK9 and CDK1 may result in the effective induction of apoptosis and CDKI-83 has the potential to be developed as an anti-cancer agent.

Chemical Structure

CDKI-83
CDKI-83
CAS#1189558-88-0

Theoretical Analysis

MedKoo Cat#: 402210

Name: CDKI-83

CAS#: 1189558-88-0

Chemical Formula: C21H23N7O3S2

Exact Mass: 485.1304

Molecular Weight: 485.58

Elemental Analysis: C, 51.94; H, 4.77; N, 20.19; O, 9.88; S, 13.21

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 #
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Synonym
CDKI83; CDKI-83; CDKI 83.
IUPAC/Chemical Name
4-(4-methyl-2-(methylamino)thiazol-5-yl)-2-((4-methyl-3-(morpholinosulfonyl)phenyl)amino)pyrimidine-5-carbonitrile
InChi Key
SSEDQERECATUBR-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H23N7O3S2/c1-13-4-5-16(10-17(13)33(29,30)28-6-8-31-9-7-28)26-20-24-12-15(11-22)18(27-20)19-14(2)25-21(23-3)32-19/h4-5,10,12H,6-9H2,1-3H3,(H,23,25)(H,24,26,27)
SMILES Code
N#CC1=CN=C(NC2=CC=C(C)C(S(=O)(N3CCOCC3)=O)=C2)N=C1C4=C(C)N=C(NC)S4
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).
HS Tariff Code
2934.99.9001
More Info
  The following activity data  of CDKI-83 was directly copied from  Invest New Drugs. 2012 Jun;30(3):889-97:               

Preparing Stock Solutions

The following data is based on the product molecular weight 485.58 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: Liu X, Lam F, Shi S, Fischer PM, Wang S. In vitro antitumor mechanism of a novel cyclin-dependent kinase inhibitor CDKI-83. Invest New Drugs. 2012 Jun;30(3):889-97. doi: 10.1007/s10637-011-9641-5. Epub 2011 Feb 18. PubMed PMID:  21331744.