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Tambiciclib

CAT: 0127-OR1102210-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102210-01Size:5 mg
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CAS Number
2247481-08-7
MDL Number
MFCD35444586
Purity
95%
Smiles
COC[C@@H] (C) N[C@@H] (CC1) CC[C@H]1NC2=CC (C3=CSC (NCC4 (CCOCC4) C#N) =N3) =C (Cl) C=N2

Chemical Information

Tambiciclib

Tambiciclib is a selective inhibitor of the serine/threonine cyclin-dependent kinase 9 (CDK9), the catalytic subunit of the RNA polymerase II (RNA Pol II) elongation factor positive transcription elongation factor b (PTEF-b; PTEFb), with potential antineoplastic activity. Upon administration, tambiciclib targets, binds to and blocks the phosphorylation and kinase activity of CDK9, thereby preventing PTEFb-mediated activation of RNA Pol II, leading to the inhibition of gene transcription of various anti-apoptotic proteins. This induces cell cycle arrest and apoptosis and prevents tumor cell proliferation. CDK9 regulates elongation of transcription through phosphorylation of RNA Pol II at serine 2 (p-Ser2-RNAPII). It is upregulated in various tumor cell types and plays a key role in the regulation of Pol II-mediated transcription of anti-apoptotic proteins. Tumor cells are dependent on anti-apoptotic proteins for their survival.

CAS Number2247481-08-7
PubChem CID141725841
IUPAC Name4-[[[4-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile
Molecular FormulaC25H35ClN6O2S
Molecular Weight519.1
XLogP4.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity697
SMILES
C[C@H](COC)NC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)Cl
InChI
InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18?,19?/m1/s1
InChIKey
PGVNLOUNSPQGJP-LMDPOFIKSA-N
Chemical Structure
2D Structure
2D structure of Tambiciclib
CAS: 2247481-08-7
CID: 141725841
Formula: C25H35ClN6O2S
MW: 519.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.1
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass518.2230732
Monoisotopic Mass518.2230732
Topological Polar Surface Area132 Ų
Heavy Atom Count35
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-X0009-01Tambiciclib
HY-X0009A-01Tambiciclib (dimaleate)

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