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(2S,3R) -Voruciclib hydrochloride

CAT: 0013-GTR19206653-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206653-01Size:25 mg
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Description
(2S,3R) -Voruciclib hydrochloride is the orally bioavailable (2S,3R) -enantiomer of the cyclin-dependent kinase (CDK) inhibitor Voruciclib. This small molecule is utilized in biochemical and cellular research to investigate CDK pathways, with studies demonstrating its activity in both in vitro assays and in vivo models.
CAS Number
1253647-46-9
Smiles
OC=1C (=C2C (C (=O) C=C (O2) C3=C (Cl) C=C (C (F) (F) F) C=C3) =C (O) C1) [C@@H]4[C@@H] (CO) N (C) CC4.Cl
Molecular Formula
C22H20Cl2F3NO5
Molecular Weight
506.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3R)-Voruciclib (hydrochloride)
CAS Number1253647-46-9
PubChem CID24888039
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride
Molecular FormulaC22H20Cl2F3NO5
Molecular Weight506.3
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count33
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.Cl
InChI
InChI=1S/C22H19ClF3NO5.ClH/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;1H/t12-,14+;/m0./s1
InChIKey
QCWRANLELLMJSH-DSHXVJGRSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-Voruciclib (hydrochloride)
CAS: 1253647-46-9
CID: 24888039
Formula: C22H20Cl2F3NO5
MW: 506.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass505.0670626
Monoisotopic Mass505.0670626
Topological Polar Surface Area90.2 Ų
Heavy Atom Count33
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 Count2
Compound Is CanonicalizedYes

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