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P53 Stabilizer 2

CAT: 0013-GTR19257850-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257850-02Size:50 mg
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Description
P53 Stabilizer 2 (Compound 17a16) is a p53 stabilizing agent. It can induce S-phase arrest and apoptosis in both p53-functional and p53-deficient cancer cells. Additionally, p53 Stabilizer 2 triggers mitochondrial stress and activates two immune checkpoint pathways: NA-PKcs dependent p53 stabilization and the ATR-Chk1 axis activation. It also inhibits tumor growth in p53-deficient xenograft models.
CAS Number
2531685-87-5
Field of Research
Cancer Biology, Cell Biology
Smiles
O (C) C=1C=2[C@@] (N (C) CCC2C (C[Se]C3CCCCCC3) =C4C1OCO4) ([C@@]5 (C=6C (C (=O) O5) =C (OC) C (OC) =CC6) [H]) [H]
Molecular Formula
C30H37NO7Se
Molecular Weight
602.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-3-[(5R)-9-(cycloheptylselanylmethyl)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CAS Number2531685-87-5
PubChem CID177822982
IUPAC Name(3S)-3-[(5R)-9-(cycloheptylselanylmethyl)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Molecular FormulaC30H37NO7Se
Molecular Weight602.6
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity840
SMILES
CN1CCC2=C(C3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3)C[Se]C6CCCCCC6
InChI
InChI=1S/C30H37NO7Se/c1-31-14-13-18-20(15-39-17-9-7-5-6-8-10-17)26-29(37-16-36-26)28(35-4)22(18)24(31)25-19-11-12-21(33-2)27(34-3)23(19)30(32)38-25/h11-12,17,24-25H,5-10,13-16H2,1-4H3/t24-,25+/m1/s1
InChIKey
KLZLCZYFLQQNTP-RPBOFIJWSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[(5R)-9-(cycloheptylselanylmethyl)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CAS: 2531685-87-5
CID: 177822982
Formula: C30H37NO7Se
MW: 602.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass603.17352
Monoisotopic Mass603.17352
Topological Polar Surface Area75.7 Ų
Heavy Atom Count39
Formal Charge0
Complexity840
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

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