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TP1287

CAT: 0931-T69965-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69965-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2044686-42-0
Target
Others, CDK
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
TP-1287 is an oral phosphate prodrug of the CDK9 inhibitor, alvocidib.
Smiles
O(P(=O)(O)O)C=1C(=C2C(=C(O)C1)C(=O)C=C(O2)C3=C(Cl)C=CC=C3)[C@@H]4[C@H](O)CN(C)CC4
Molecular Formula
C21H21ClNO8P
Molecular Weight
481.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tp-1287

Alvocidib Prodrug TP-1287 is an orally bioavailable, highly soluble phosphate prodrug of alvocidib, a potent inhibitor of cyclin-dependent kinase-9 (CDK9), with potential antineoplastic activity. Upon administration of the phosphate prodrug TP-1287, the prodrug is enzymatically cleaved at the tumor site and the active moiety alvocidib is released. Alvocidib targets and binds to CDK9, thereby reducing the expression of CDK9 target genes such as the anti-apoptotic protein MCL-1, and inducing G1 cell cycle arrest and apoptosis in CDK9-overexpressing cancer cells.

CAS Number2044686-42-0
PubChem CID124083048
IUPAC Name[2-(2-chlorophenyl)-5-hydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl] dihydrogen phosphate
Molecular FormulaC21H21ClNO8P
Molecular Weight481.8
XLogP-0.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity790
SMILES
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OP(=O)(O)O
InChI
InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1
InChIKey
YRNFLVUMZIRYKY-BLLLJJGKSA-N
Chemical Structure
2D Structure
2D structure of Tp-1287
CAS: 2044686-42-0
CID: 124083048
Formula: C21H21ClNO8P
MW: 481.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.8
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass481.0693313
Monoisotopic Mass481.0693313
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity790
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
GTR19210039-01TP1287

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