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CH-0793076

CAT: 0013-GTR19226846-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226846-03Size:100 mg
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Description
CH-0793076 is a hexacyclic camptothecin analog and the primary active metabolite of TP300. It functions as a topoisomerase I inhibitor with an IC50 of 2.3 μM and demonstrates efficacy against cancer cells expressing the BCRP transporter, supporting its investigation in oncology research for overcoming drug resistance.
CAS Number
534605-78-2
Field of Research
Molecular Biology
Smiles
C (CCCC) N1C=2C=3C (N=C4C2CN5C4=CC6=C (C5=O) COC (=O) [C@@]6 (CC) O) =CC=CC3N=C1
Molecular Formula
C26H26N4O4
Molecular Weight
458.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 9981577
CAS Number534605-78-2
PubChem CID9981577
IUPAC Name(10S)-10-ethyl-10-hydroxy-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
Molecular FormulaC26H26N4O4
Molecular Weight458.5
XLogP1.9
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity989
SMILES
CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(C5=O)COC(=O)[C@@]6(CC)O)C4=N3
InChI
InChI=1S/C26H26N4O4/c1-3-5-6-10-29-14-27-18-8-7-9-19-21(18)23(29)15-12-30-20(22(15)28-19)11-17-16(24(30)31)13-34-25(32)26(17,33)4-2/h7-9,11,14,33H,3-6,10,12-13H2,1-2H3/t26-/m0/s1
InChIKey
NPAAFPODGAKMTC-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of CID 9981577
CAS: 534605-78-2
CID: 9981577
Formula: C26H26N4O4
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass458.19540532
Monoisotopic Mass458.19540532
Topological Polar Surface Area95.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity989
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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