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XSJ151

CAT: 0013-GTR19275268-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275268-01Size:10 mg
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Description
XSJ151 is a topoisomerase I inhibitor that stabilizes the DNA-topoisomerase I covalent complex, inducing DNA double-strand breaks. The DNA damage caused by XSJ151 activates the p53-p21 signaling pathway, specifically regulating the expression of cyclins, resulting in G2/M phase cell cycle arrest. Additionally, it disrupts the dynamic equilibrium of Bcl-2 family proteins, thereby triggering apoptosis in gastric cancer cells. XSJ151 is applicable for research in gastric cancer.
CAS Number
1685279-23-5
Smiles
O (C (CN=C (CC1=CC=C (OC) C=C1) NS (=O) (=O) C2=CC=C (N (=O) =O) C=C2) =O) [C@@]3 (CC) C4=C (C (=O) N5C (=C4) C=6C (C5) =CC=7C (N6) =CC=CC7) COC3=O
Molecular Formula
C37H31N5O10S
Molecular Weight
737.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[2-(4-methoxyphenyl)-1-[(4-nitrophenyl)sulfonylamino]ethylidene]amino]acetate
CAS Number1685279-23-5
PubChem CID127034496
IUPAC Name[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[2-(4-methoxyphenyl)-1-[(4-nitrophenyl)sulfonylamino]ethylidene]amino]acetate
Molecular FormulaC37H31N5O10S
Molecular Weight737.7
XLogP3.7
Topological Polar Surface Area208
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count53
Formal Charge0
Complexity1670
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN=C(CC6=CC=C(C=C6)OC)NS(=O)(=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI
InChI=1S/C37H31N5O10S/c1-3-37(29-18-31-34-24(17-23-6-4-5-7-30(23)39-34)20-41(31)35(44)28(29)21-51-36(37)45)52-33(43)19-38-32(16-22-8-12-26(50-2)13-9-22)40-53(48,49)27-14-10-25(11-15-27)42(46)47/h4-15,17-18H,3,16,19-21H2,1-2H3,(H,38,40)/t37-/m0/s1
InChIKey
JGNDYACICADGRZ-QNGWXLTQSA-N
Chemical Structure
2D Structure
2D structure of [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2-[[2-(4-methoxyphenyl)-1-[(4-nitrophenyl)sulfonylamino]ethylidene]amino]acetate
CAS: 1685279-23-5
CID: 127034496
Formula: C37H31N5O10S
MW: 737.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight737.7
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass737.17916338
Monoisotopic Mass737.17916338
Topological Polar Surface Area208 Ų
Heavy Atom Count53
Formal Charge0
Complexity1670
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

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