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R547

CAT: 1568-C17003-01Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C17003-01Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
741713-40-6
Synonyms
Ro 4584820
SKU
C17003-25mg
Target
CDK
Applications
Cell Cycle
Smiles
COC1=C (C (=C (C=C1) F) F) C (=O) C2=CN=C (N=C2N) NC3CCN (CC3) S (=O) (=O) C
Molecular Formula
C18H21F2N5O4S
Additionnal Information
R547 (Ro 4584820) is a potent ATP-competitive inhibitor of CDK1/2/4 with Ki of 2 nM/3 nM/1 nM. It is less potent to CDK7 and GSK3α/β, while inactive to other kinases. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

(4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone

CDK Inhibitor R547 is an orally bioavailable diaminopyrimidine compound and a cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. CDKs are ATP-dependent serine/threonine kinases that are important regulators of cell cycle progression and are frequently overexpressed in cancerous cells. R547 selectively binds to and inhibits CDKs, especially CDK1/cyclin B, CDK2/cyclin E, and CDK4/cyclin D1. The inhibition of CDKs results in cell cycle arrest, inhibition of tumor cell proliferation, and induction of apoptosis. By inhibiting CDK activity, R547 also reduces phosphorylation of the retinoblastoma (Rb) protein, thereby preventing activation of transcription factor E2F and leading to further suppression of tumor cell proliferation.

CAS Number741713-40-6
PubChem CID6918852
IUPAC Name[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Molecular FormulaC18H21F2N5O4S
Molecular Weight441.5
XLogP2.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity701
SMILES
COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C
InChI
InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKey
JRNJNYBQQYBCLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
CAS: 741713-40-6
CID: 6918852
Formula: C18H21F2N5O4S
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass441.12823167
Monoisotopic Mass441.12823167
Topological Polar Surface Area136 Ų
Heavy Atom Count30
Formal Charge0
Complexity701
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

Alternative Products

CatalogName
HY-10014-01R547
A11190-500R547 500mg
A11190-1R547 1mg
A11190-50R547 50mg
A11190-5R547 5mg
HY-10014RR547 (Standard)
A11190-100R547 100mg
A11190-10R547 10mg
HY-111260R547 (mesylate)
A11190-25R547 25mg

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