Synonym
CDK9/CycT1-IN93; CDK9/CycT1IN-93; CDK9/CycT1IN93; CDK9/CycT1 IN 93; CDK9/CycT1-IN-93
IUPAC/Chemical Name
(3-((6-(2-(Benzyloxy)phenyl)pyrimidin-4-yl)amino)benzyl)(propyl)phosphinic acid
InChi Key
IIZHHHNHDPJHJK-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H28N3O3P/c1-2-15-34(31,32)19-22-11-8-12-23(16-22)30-27-17-25(28-20-29-27)24-13-6-7-14-26(24)33-18-21-9-4-3-5-10-21/h3-14,16-17,20H,2,15,18-19H2,1H3,(H,31,32)(H,28,29,30)
SMILES Code
O=P(CCC)(CC1=CC=CC(NC2=NC=NC(C3=CC=CC=C3OCC4=CC=CC=C4)=C2)=C1)O
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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
473.51
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.
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: Németh G, Greff Z, Sipos A, Varga Z, Székely R, Sebestyén M, Jászay Z, Béni S, Nemes Z, Pirat JL, Volle JN, Virieux D, Gyuris Á, Kelemenics K, Ay E, Minarovits J, Szathmary S, Kéri G, Orfi L. Synthesis and evaluation of phosphorus containing, specific CDK9/CycT1 inhibitors. J Med Chem. 2014 May 22;57(10):3939-65. doi: 10.1021/jm401742r. Epub 2014 May 2. PubMed PMID: 24742150.