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Antitumor agent-97

CAT: 0013-GTR19230826-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230826-02Size:50 mg
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Description
Antitumor agent-97 (compound 42) is a research chemical that inhibits proliferation and induces apoptosis in gastric cancer MGC-803 cells. Its mechanism involves the suppression of autophagy and the promotion of reactive oxygen species (ROS) accumulation, supporting its use in oncology and cell death studies.
CAS Number
2654024-16-3
Field of Research
Cell Biology
Smiles
C[C@@]12[C@] ([C@] (COC (=O) C3CC3) (C) [C@@H] (O) CC1) (CCC=4C2=CC=C (C (C) C) C4) [H]
Molecular Formula
C24H34O3
Molecular Weight
370.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitumor agent-97
CAS Number2654024-16-3
PubChem CID168355651
IUPAC Name[(1S,2S,4aS,10aR)-2-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl cyclopropanecarboxylate
Molecular FormulaC24H34O3
Molecular Weight370.5
XLogP5.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity568
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H]([C@]([C@@H]3CC2)(C)COC(=O)C4CC4)O)C
InChI
InChI=1S/C24H34O3/c1-15(2)17-7-9-19-18(13-17)8-10-20-23(19,3)12-11-21(25)24(20,4)14-27-22(26)16-5-6-16/h7,9,13,15-16,20-21,25H,5-6,8,10-12,14H2,1-4H3/t20-,21+,23-,24-/m1/s1
InChIKey
XXZDESGWQYZTIR-CBJLPSGESA-N
Chemical Structure
2D Structure
2D structure of Antitumor agent-97
CAS: 2654024-16-3
CID: 168355651
Formula: C24H34O3
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass370.25079494
Monoisotopic Mass370.25079494
Topological Polar Surface Area46.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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