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LDC4297

CAT: 0804-HY-12653-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12653-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LDC4297 is a selective inhibitor of CDK7 with an IC50 value of 0.13 nM. LDC4297 inhibits human cytomegalovirus (HCMV) replication with an EC50 value of 24.5 nM. LDC4297 shows broad antiviral activities to Herpesviridae, Adenoviridae, Poxviridae, Retroviridae and Orthomyxoviridae with EC50 value of 0.02-1.21 μM. LDC4297 can be used for the research of infection[1].
CAS Number
1453834-21-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CDK; HIV; HSV
Type
Reference compound
Related Pathways
Anti-infection; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/LDC4297.html
Purity
98.14
Solubility
DMSO : ≥ 60 mg/mL
Smiles
CC(C)C1=C(N2N=C1)N=C(OC3CNCCC3)N=C2NCC4=CC=CC=C4N5C=CC=N5
Molecular Formula
C23H28N8O
Molecular Weight
432.52
Precautions
H302, H315, H319, H335
References & Citations
[1]Hutterer C, et al. A novel CDK7 inhibitor of the Pyrazolotriazine class exerts broad-spectrum antiviral activity at nanomolar concentrations. Antimicrob Agents Chemother. 2015 Apr;59 (4) :2062-71.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK7; HSV-1; HSV-2

Chemical Information

Ldc4297

LDC4297 is a pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity. It has a role as an antiviral agent, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a pyrazolotriazine, a member of piperidines, a member of pyrazoles, an aromatic ether and a secondary amino compound.

CAS Number1453834-21-3
PubChem CID78161839
IUPAC Name2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular FormulaC23H28N8O
Molecular Weight432.5
XLogP3.4
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity594
SMILES
CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5
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
Chemical Structure
2D Structure
2D structure of Ldc4297
CAS: 1453834-21-3
CID: 78161839
Formula: C23H28N8O
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass432.23860755
Monoisotopic Mass432.23860755
Topological Polar Surface Area94.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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