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4-TM.P

CAT: 0013-GTR19250591-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250591-02Size:50 mg
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Description
4-TM.P is a DNA minor groove-binding compound that inhibits K562 leukemia cell proliferation (IC50 = 25 μM) by inducing G0/G1 phase arrest and apoptosis. It serves as a useful research tool for in vitro studies of cell cycle regulation and programmed cell death in hematological cancers.
CAS Number
2089575-84-6
Field of Research
Cell Biology
Smiles
C (=C/C (OC (=O) C=1C=NC=CN1) C) \C=2C (C) (C) CCCC2C
Molecular Formula
C18H24N2O2
Molecular Weight
300.395
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] pyrazine-2-carboxylate
CAS Number2089575-84-6
PubChem CID172677406
IUPAC Name[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] pyrazine-2-carboxylate
Molecular FormulaC18H24N2O2
Molecular Weight300.4
XLogP3.4
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity466
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)C2=NC=CN=C2
InChI
InChI=1S/C18H24N2O2/c1-13-6-5-9-18(3,4)15(13)8-7-14(2)22-17(21)16-12-19-10-11-20-16/h7-8,10-12,14H,5-6,9H2,1-4H3/b8-7+
InChIKey
ZPOOCMNYTIUCJL-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] pyrazine-2-carboxylate
CAS: 2089575-84-6
CID: 172677406
Formula: C18H24N2O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass300.183778013
Monoisotopic Mass300.183778013
Topological Polar Surface Area52.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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