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Roscovitine (Seliciclib,CYC202)

CAT: 0607-A1723-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A1723-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK inhibitor,potent and selective
CAS Number
186692-46-6
Product Name Alternative
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Field of Research
Cell Cycle Checkpoint Cyclin-Dependent Kinases
Purity
0.9839
Form
A solid
Solubility
insoluble in H2O; ≥17.72 mg/mL in DMSO; ≥53.5 mg/mL in EtOH
Smiles
CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C
Molecular Formula
C19H26N6O
Molecular Weight
354.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Roscovitine

Seliciclib is 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. It has a role as an antiviral drug and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor.

CAS Number186692-46-6
PubChem CID160355
IUPAC Name(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Molecular FormulaC19H26N6O
Molecular Weight354.4
XLogP3.2
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity417
SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKey
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Roscovitine
CAS: 186692-46-6
CID: 160355
Formula: C19H26N6O
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass354.21680947
Monoisotopic Mass354.21680947
Topological Polar Surface Area87.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS575035Roscovitine (CYC202, Seliciclib)
SC0101-25mgRoscovitine (Seliciclib, CYC202)
MBS8506225-01Roscovitine (Seliciclib)
202580Seliciclib (Roscovitine)
A10806-25Roscovitine (Seliciclib) 25mg
A10806-5Roscovitine (Seliciclib) 5mg
A10806-10mM-DRoscovitine (Seliciclib) 10mM * 1mL in DMSO
T2095-01Seliciclib
FR146851-01Roscovitine
CS-B-00209Seliciclib-d7

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