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Flavopiridol hydrochloride

CAT: 0931-T2615-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2615-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131740-09-5
Target
HIV Protease, Autophagy, CDK
Related Pathways
Proteases/Proteasome, Microbiology/Virology, Autophagy, Cell Cycle/Checkpoint
Purity
0.9988
Bioactivity
Flavopiridol hydrochloride (MDL 107826A) is a synthetic N-methylpiperidinyl chlorophenyl flavone compound. As an inhibitor of cyclin-dependent kinase, alvocidib induces cell cycle arrest by preventing phosphorylation of cyclin-dependent kinases (CDKs) and by down-regulating cyclin D1 and D3 expression, resulting in G1 cell cycle arrest and apoptosis. This agent is also a competitive inhibitor of adenosine triphosphate activity.
Smiles
Cl.CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Molecular Formula
C21H21Cl2NO5
Molecular Weight
438.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flavopiridol hydrochloride

Alvocidib hydrochloride is a hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. It has a role as an antineoplastic agent, an antirheumatic drug, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It contains an alvocidib(1+).

CAS Number131740-09-5
PubChem CID9910986
IUPAC Name2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;hydrochloride
Molecular FormulaC21H21Cl2NO5
Molecular Weight438.3
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity628
SMILES
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl
InChI
InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
InChIKey
LGMSNQNWOCSPIK-LWHGMNCYSA-N
Chemical Structure
2D Structure
2D structure of Flavopiridol hydrochloride
CAS: 131740-09-5
CID: 9910986
Formula: C21H21Cl2NO5
MW: 438.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass437.0796782
Monoisotopic Mass437.0796782
Topological Polar Surface Area90.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity628
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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FF23298-01Flavopiridol hydrochloride
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FF65024-01Flavopiridol

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