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LDC4297 (hydrochloride)

CAT: 0804-HY-12653A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12653A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LDC4297 hydrochloride is a selective inhibitor of CDK7 with an IC50 value of 0.13 nM. LDC4297 hydrochloride inhibits human cytomegalovirus (HCMV) replication with an EC50 value of 24.5 nM. LDC4297 hydrochloride shows broad antiviral activities to Herpesviridae, Adenoviridae, Poxviridae, Retroviridae and Orthomyxoviridae with EC50 values of 0.02-1.21 μM. LDC4297 hydrochloride can be used for the research of infection[1].
CAS Number
2319747-14-1
UNSPSC
12352005
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-hydrochloride.html
Purity
98.23
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C)C1=C(N2N=C1)N=C(OC3CNCCC3)N=C2NCC4=CC=CC=C4N5C=CC=N5.[H]Cl
Molecular Formula
C23H29ClN8O
Molecular Weight
468.98
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
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK7; HIV-1; HSV-1; HSV-2

Chemical Information

LDC4297 (hydrochloride)
CAS Number2319747-14-1
PubChem CID137958370
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;hydrochloride
Molecular FormulaC23H29ClN8O
Molecular Weight469.0
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity594
SMILES
CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5.Cl
InChI
InChI=1S/C23H28N8O.ClH/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);1H
InChIKey
CEUJJAKJRBKKSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LDC4297 (hydrochloride)
CAS: 2319747-14-1
CID: 137958370
Formula: C23H29ClN8O
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass468.2152853
Monoisotopic Mass468.2152853
Topological Polar Surface Area94.2 Ų
Heavy Atom Count33
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 Count2
Compound Is CanonicalizedYes

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