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LEE011

CAT: 0607-A8641-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8641-50Size:50 mg
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Description
CDK4/6 inhibitor
CAS Number
1211441-98-3
Product Name Alternative
7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Field of Research
Cell Cycle Checkpoint Cyclin-Dependent Kinases
Purity
0.9851
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥10.88 mg/mL in DMSO
Smiles
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5
Molecular Formula
C23H30N8O
Molecular Weight
434.54
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ribociclib

Ribociclib is a member of piperazines and a member of pyridines.

CAS Number1211441-98-3
PubChem CID44631912
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC23H30N8O
Molecular Weight434.5
XLogP2.2
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity635
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKey
RHXHGRAEPCAFML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ribociclib
CAS: 1211441-98-3
CID: 44631912
Formula: C23H30N8O
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass434.25425761
Monoisotopic Mass434.25425761
Topological Polar Surface Area91.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity635
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
GW0606-10mgLEE011
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TRC-L321000-50MGLEE011 Succinate
MBS385032-01LEE011 (Ribociclib)
A13549-50LEE011 50mg
A13549-25LEE011 25mg
A13549-10LEE011 10mg
SC6668-5mgLEE011 (CDK inhibitor)
A13549-100LEE011 (Ribociclib) 100mg

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