Synonym
PNU 112455A; PNU-112455A; PNU112455A; PNU 112455; PNU-112455 HCl; PNU112455 hydrochloride;
IUPAC/Chemical Name
4-[(6-Amino-4-pyrimidinyl)amino]-benzenesulfonamide hydrochloride
InChi Key
XBXQRCJKDCEQBS-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H11N5O2S.ClH/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17;/h1-6H,(H2,12,16,17)(H3,11,13,14,15);1H
SMILES Code
O=S(C1=CC=C(NC2=NC=NC(N)=C2)C=C1)(N)=O.[H]Cl
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
>2 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
Biological target:
PNU112455A is an ATP site competetive inhibitor of CDK2 and CDK5.
In vitro activity:
An aminopyrimidine, PNU 112455A, was identified in a screen for inhibitors of cdk2. Nonlinear least squares and Lineweaver-Burk analyses demonstrated that the inhibitor PNU 112455A was competitive with ATP with a K(i) value of 2 microm. In addition, a co-crystal of PNU 112455A with cdk2 showed that the inhibitor binds in the ATP binding pocket of the enzyme.
Reference: J Biol Chem. 2001 Dec 21;276(51):48292-9. https://pubmed.ncbi.nlm.nih.gov/11604388/
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| DMF |
30.0 |
99.42 |
|
| DMSO |
30.0 |
99.42 |
|
| Ethanol |
10.0 |
33.14 |
|
| PBS (pH 7.2) |
10.0 |
33.14 |
|
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
301.75
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 |
Formulation protocol:
Clare PM, Poorman RA, Kelley LC, Watenpaugh KD, Bannow CA, Leach KL. The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism. J Biol Chem. 2001 Dec 21;276(51):48292-9. doi: 10.1074/jbc.M102034200. Epub 2001 Oct 16. PMID: 11604388.
In vitro protocol:
Clare PM, Poorman RA, Kelley LC, Watenpaugh KD, Bannow CA, Leach KL. The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism. J Biol Chem. 2001 Dec 21;276(51):48292-9. doi: 10.1074/jbc.M102034200. Epub 2001 Oct 16. PMID: 11604388.
1: Monaco EA 3rd, Beaman-Hall CM, Mathur A, Vallano ML. Roscovitine, olomoucine, purvalanol: inducers of apoptosis in maturing cerebellar granule neurons. Biochem Pharmacol. 2004 May 15;67(10):1947-64. PubMed PMID: 15130771.
2: Clare PM, Poorman RA, Kelley LC, Watenpaugh KD, Bannow CA, Leach KL. The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism. J Biol Chem. 2001 Dec 21;276(51):48292-9. Epub 2001 Oct 16. PubMed PMID: 11604388.
Zhang R, Wang J, Du Y, Yu Z, Wang Y, Jiang Y, Wu Y, Le T, Li Z, Zhang G, Lv L, Ma H. CDK5 destabilizes PD-L1 via chaperon-mediated autophagy to control cancer immune surveillance in hepatocellular carcinoma. J Immunother Cancer. 2023 Nov 24;11(11):e007529. doi: 10.1136/jitc-2023-007529. PMID: 38007240; PMCID: PMC10679996.
