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CH-0793076

CAT: 0804-HY-107096Size: 1 EachDry Ice: NoHazardous: No
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Description
CH-0793076 (TP3076), a hexacyclic camptothecin analog, is active drug and major metabolite of TP300. CH-0793076 inhibits DNA topoisomerase I with an IC50 of 2.3 μM. CH-0793076 is efficacious against cells expressing BCRP (breast cancer resistance protein) [1].
CAS Number
534605-78-2
Product Name Alternative
TP3076
UNSPSC
12352005
Target
Topoisomerase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ch-0793076.html
Solubility
10 mM in DMSO
Smiles
O=C1[C@](O)(CC)C(C=C23)=C(CO1)C(N2CC(C3=N4)=C5N(CCCCC)C=NC6=C5C4=CC=C6)=O
Molecular Formula
C26H26N4O4
Molecular Weight
458.51
References & Citations
[1]Endo M, et al. A water soluble prodrug of a novel camptothecin analog is efficacious against breast cancer resistance protein-expressing tumor xenografts. Cancer Chemother Pharmacol. 2010 Jan;65 (2) :363-71.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Topo I

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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