≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Targets
CDK7 (Cell-free assay); CDK2 (Cell-free assay); CDK9 (Cell-free assay); CDK1 (Cell-free assay) 40 nM ;620 nM; 1.2 μM; 1.8 μM
In vitro
A wide range of cancer types are sensitive to CDK7 inhibition by ICEC0942 with GI50 values ranging between 0.2-0.3 µM. ICEC0942 inhibits PolII, CDK1, CDK2 and RB (retinoblastoma) phosphorylation in the MCF7 breast cancer cell line in a time and dose-sependent manner. ICEC0942 inhibits phosphorylation of CDK7 substrates and promotes cell cycle arrest and apoptosis.
In vivo
In xenografts of both breast and colorectal cancers, ICEC0942 has substantial anti-tumor effects. For pharmacokinetics, CD1 male mice are treated intravenously (IV), subcutaneously (SC) or by oral gavage (PO) with 10 mg/kg ICEC0942. In plasma, ICEC0942 levels decline in a bi-phasic manner, indicating rapid distribution into tissues. Following IV administration of ICEC0942 at 10 mg/kg in male CD1 mice Cl(plasma) is calculated at 78 ml.min/kg. Blood/plasma ratio (Bl/Pl) is 1.81. ICEC0942 has a half-life of 1.9 hrs, a moderate half-life in this species. Only a small proportion (13.5%) of ICEC0942 is metabolized after 2 and 4 hour following a single PO administration (100 mg/kg). Comparing exposure (AUCt) after single PO and IV administration at 10 mg/kg, oral bioavailability (F%) is calculated at 30%. Median Tmax for PO administration is 2 hours and is unaffected by increasing dose. Over this dose range, Cmax is linearly associated with dose, as is the total exposure over time (AUCt). In tumor-bearing mice, there is appreciable accumulation of ICEC0942 in tumors 6-hours post administration. ICEC0942 levels in tumors lag behind plasma levels.
Cell Research(from reference)
Cell lines：HCT116 cells
Concentrations：0.1, 1, 10 μM
Incubation Time：4, 8, 16, 24 h
| Canonical Smiles | CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCC4CCNCC4O.Cl |
|---|---|
| IUPAC Name | (3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;hydrochloride |
| InChIKey | YMNPLAHCOLEZJE-ZFNKBKEPSA-N |
| INCHI | 1S/C22H30N6O.ClH/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29;/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27);1H/t17-,19+;/m1./s1 |
| Isomeric SMILES | CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O.Cl |
| PubChem CID | 91844732 |
| Molecular Weight | 430.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Benzylamines Aminopyrimidines and derivatives Piperidines Imidolactams Pyrazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Benzylamine - Aminopyrimidine - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2403207 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403208 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403209 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403210 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403211 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403212 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403213 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| F2403214 | Certificate of Analysis | Feb 23, 2024 | S414134 |
| Solubility | Solubility (25°C) In vitro DMSO: 86 mg/mL (199.54 mM); Water: 86 mg/mL (199.54 mM); Ethanol: 15 mg/mL (34.8 mM); |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 431.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.225 Da |
| Monoisotopic Mass | 430.225 Da |
| Topological Polar Surface Area | 86.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
