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AT7519

CAT: 1568-C07867-03Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C07867-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
844442-38-2
Synonyms
AT7519M
SKU
C07867-5mg
Target
CDK
Applications
Cell Cycle
Smiles
C1CNCCC1NC (=O) C2=C (C=NN2) NC (=O) C3=C (C=CC=C3Cl) Cl
Molecular Formula
C16H17Cl2N5O2
Additionnal Information
AT7519 is a multi-CDK inhibitor for CDK1, 2, 4, 6 and 9 with IC50 of 10-210 nM. It is less potent to CDK3 and little active to CDK7. AT7519 also decrease GSK3β phosphorylation. AT7519 induces apoptosis. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide

4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide is a member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a secondary carboxamide, a dichlorobenzene, a member of piperidines and a member of pyrazoles.

CAS Number844442-38-2
PubChem CID11338033
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.2
XLogP2.6
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity479
SMILES
C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKey
OVPNQJVDAFNBDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CAS: 844442-38-2
CID: 11338033
Formula: C16H17Cl2N5O2
MW: 382.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.2
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass381.0759302
Monoisotopic Mass381.0759302
Topological Polar Surface Area98.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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