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LDC4297 (LDC044297) - 98%, high purity , CAS No.1453834-21-3

    Grade & Purity:
  • ≥98%
In stock
Item Number
L413901
Grouped product items
SKU Size
Availability
Price Qty
L413901-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$117.90
L413901-10mg
10mg
2
$197.90
L413901-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$395.90
L413901-50mg
50mg
2
$672.90
L413901-100mg
100mg
2
$1,211.90

CDK7 Selective Inhibitors

Basic Description

Synonyms Pyrazolo[1,​5-​a]​-​1,​3,​5-​triazin-​4-​amine,8-​(1-​methylethyl)​-​2-​(3-​piperidinyloxy)​-​N-​[[2-​(1H-​pyrazol-​1-​yl)​phenyl]​methyl]​-
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms LDC4297 is a novel CDK7 inhibitor (IC50=0.13±0.06 nM for CDK7 versus IC50s between 10 nM and 10,000 nM for all other analyzed CDKs).
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

LDC4297 is a novelCDK7inhibitor (IC50=0.13±0.06 nM for CDK7 versus IC50s between 10 nM and 10,000 nM for all other analyzed CDKs).


Targets

CDK7 (Cell-free assay) 0.13 nM


In vitro

LDC4297 inhibits CDK7 in vitro in the nano-picomolar range. The affinity of LDC4297 for CDK7 proves to be extremely high. The replication of HCMV in cultured primary human fibroblasts (HFFs) is inhibited by LDC4297 in a concentration-dependent manner with a 50% effective concentration (EC50) value of 24.5 ± 1.3 nM. Notably, CDK7 inhibition by LDC4297 is not associated with general cytotoxicity at submicromolar concentrations. In contrast, LDC4297 induces cytotoxicity in a set of tumor cell lines, i.e., already at extremely low, nanomolar concentrations in specific cases. Anti-HCMV activity of LDC4297 is exerted through a multifaceted mode of action that involves an interference with virus-induced Rb phosphorylation.


In vivo

The PK analyses of LDC4297 performed thus far have also been highly promising. An analysis of the PK parameters in CD1 mice reveals positive characteristics after oral administration, as demonstrated for a single-dose treatment (100 mg/kg of LDC4297. The half-life (t1/2z) is determined to be 1.6 h, and a time (Tmax) to a mean peak plasma concentration of 1,297.6 ng/ml is reached 0.5 h after administration, with a continued presence of LDC4297 plasma levels for at least 8 h and a bioavailability of 97.7%.


Cell Research(from reference)

Cell lines:human fibroblasts 

Concentrations:0.1 to 50 μM 

Incubation Time:3 days 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Triazines
Subclass Aminotriazines
Intermediate Tree Nodes N-aliphatic s-triazines
Direct Parent 2-benzylamino-s-triazines
Alternative Parents Phenylpyrazoles  Pyrazolotriazines  Pyrazolo[1,5-a][1,3,5]triazines  Benzylamines  Alkoxy-S-triazines  Alkyl aryl ethers  Piperidines  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 2-benzylamino-s-triazine - Phenylpyrazole - Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - Alkoxy-s-triazine - Benzylamine - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - 1,3,5-triazine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as 2-benzylamino-s-triazines. These are aromatic heterocyclic compounds containing a S-triazine ring, which is N-substituted at the 2-position with a benzylamine.
External Descriptors Not available

Associated Targets(Human)

CDK7 Tchem Cyclin-dependent kinase 7 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK6 Tclin Cyclin-dependent kinase 6 (1724 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK9 Tchem Cyclin-dependent kinase 9 (2495 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK7 Tchem Cyclin-dependent kinase 7 (1512 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cdk4 Cyclin-dependent kinase 4 (3 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human betaherpesvirus 5 (5122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504772420
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772420
IUPAC Name 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
INCHI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)
InChIKey LSGRZENCFIIHNV-UHFFFAOYSA-N
Smiles CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5
Isomeric SMILES CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5
Molecular Weight 432.52
Reaxy-Rn 33715583
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33715583&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
H2213305 Certificate of Analysis May 12, 2025 L413901
H2213304 Certificate of Analysis May 12, 2025 L413901
H2213299 Certificate of Analysis May 12, 2025 L413901

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 86 mg/mL (198.83 mM); Ethanol: 86 mg/mL (198.83 mM); Water: Insoluble;
Molecular Weight 432.500 g/mol
XLogP3 3.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 432.239 Da
Monoisotopic Mass 432.239 Da
Topological Polar Surface Area 94.200 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 594.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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