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Flavopiridol

CAT: 0926-FF65024-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FF65024-01Size:1 mg
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CAS Number
146426-40-6
Synonyms
Alvocidib
MDL Number
MFCD20501884
Smiles
CN1CC[C@@H] ([C@@H] (C1) O) C2=C (C=C (C3=C2OC (=CC3=O) C4=CC=CC=C4Cl) O) O
Molecular Formula
C21H20ClNO5
Controlled
No

Chemical Information

Alvocidib

Alvocidib is a synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the ()-3S,4R stereoisomer). 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 is a dihydroxyflavone, a hydroxypiperidine, a tertiary amino compound and a member of monochlorobenzenes. It is a conjugate base of an alvocidib(1+).

CAS Number146426-40-6
PubChem CID5287969
IUPAC Name2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Molecular FormulaC21H20ClNO5
Molecular Weight401.8
XLogP3.3
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
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
InChI
InChI=1S/C21H20ClNO5/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/t12-,17+/m0/s1
InChIKey
BIIVYFLTOXDAOV-YVEFUNNKSA-N
Chemical Structure
2D Structure
2D structure of Alvocidib
CAS: 146426-40-6
CID: 5287969
Formula: C21H20ClNO5
MW: 401.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.8
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass401.1030004
Monoisotopic Mass401.1030004
Topological Polar Surface Area90.2 Ų
Heavy Atom Count28
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
2090-5Flavopiridol
HY-10005RFlavopiridol (Standard)
255311-01Flavopiridol hydrochloride
MBS8506359-01Flavopiridol (Alvocidib)
A10390-50Flavopiridol 50mg

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