Products for Research Use Only
RegisterLogin

Rel- (2S,3R) -Voruciclib

CAT: 0804-HY-12422CSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-12422CSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Rel- (2S,3R) -Voruciclib is the (2S,3R) -enantiomer of Voruciclib. (2S,3R) -Voruciclib is an orally active CDK inhibitor[1].
CAS Number
1253731-24-6
UNSPSC
12352005
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/rel-2s-3r-voruciclib.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC(C(F)(F)F)=CC=C1C(OC2=C(C(O)=CC(O)=C23)[C@H]([C@H]4CO)CCN4C)=CC3=O
Molecular Formula
C22H19ClF3NO5
Molecular Weight
469.84
References & Citations
[1]Veena Agarwal, et al. A synergistic pharmaceutical combination for the treatment of pancreatic cancer. WO2012123889A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2S,3R)-Voruciclib
CAS Number1253731-24-6
PubChem CID24888038
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
Molecular FormulaC22H19ClF3NO5
Molecular Weight469.8
XLogP4.1
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity750
SMILES
CN1CC[C@@H]([C@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O
InChI
InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m0/s1
InChIKey
MRPGRAKIAJJGMM-GXTWGEPZSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-Voruciclib
CAS: 1253731-24-6
CID: 24888038
Formula: C22H19ClF3NO5
MW: 469.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.8
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass469.0903849
Monoisotopic Mass469.0903849
Topological Polar Surface Area90.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-12422B-01(2S,3R) -Voruciclib (hydrochloride)
HY-121161B-01(2S,3R) -Brassinazole
HY-116227(2S,3R) -LP99
HY-12422-01Voruciclib
HY-172514(1R,2S,3R) -Aprepitant
HY-129214-01(2S,3R) -DEPMPO-Biotin
HY-12422A-01Voruciclib (hydrochloride)
HY-78932C(2S,3R) -Dap-NE (hydrochloride)
HY-159647B(1S,2S,3R) -PLX-4545
HY-112929B-01(1S,2S,3R) -DT-061

Alternative Products

CatalogName
MBS5819718rel-(2S,3R)-Voruciclib hydrochloride
GTR19206654-01(2S,3R) -Voruciclib
MBS5765898(2S,3R)-Voruciclib
GTR19206653-01(2S,3R) -Voruciclib hydrochloride
MBS5752607(2S,3R)-Voruciclib hydrochloride
TRC-M128120-25MGrel-(1R,2S,3R) Metconazole Carboxylic Acid
OR1035432-01Rel-Dimethyl (2S,3R) -piperidine-2,3-dicarboxylate
TRC-T110605-100MGrel-(2S,4S)-Terconazole
CS-T-43339Rel- (2S,4S) -Terconazole
464573-01Rel- (1S,3R) -Benazepril Hydrochloride

Popular Products