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(R) -Roscovitine

CAT: 0804-HY-30237-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-30237-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -Roscovitine (Seliciclib) is an orally bioavailable and selective CDKs inhibitor with IC50s of 0.2 μM, 0.65 μM, and 0.7 μM for CDK5, Cdc2, and CDK2, respectively.
CAS Number
186692-46-6
Product Name Alternative
Seliciclib; CYC202
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/r-roscovitine.html
Purity
99.53
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC[C@H](NC1=NC(NCC2=CC=CC=C2)=C3C(N(C=N3)C(C)C)=N1)CC
Molecular Formula
C19H26N6O
Molecular Weight
354.45
Precautions
H302, H315, H319, H335
References & Citations
[1]Meijer L, et al. Biochemical and cellular effects of roscovitine, a potent and selective inhibitor of the cyclin-dependent kinases cdc2, cdk2 and cdk5. Eur J Biochem. 1997 Jan 15;243 (1-2) :527-36.|[2]Bai X, et al. CDK5 promotes renal tubulointerstitial fibrosis in diabetic nephropathy via erk1/2/pparγ pathway. Oncotarget. 2016 Apr 27.|[3]Gary C, et al. Selective antitumor activity of roscovitine in head and neck cancer. Oncotarget. 2016 May 23.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CDK1; CDK2; CDK5

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

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CatalogName
FR146851-01Roscovitine

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