CH-0793076

CAT: 0931-T14945-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T14945-01Size:25 mg

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CAS Number

534605-78-2

Target

Topoisomerase

Related Pathways

DNA Damage/DNA Repair

Bioactivity

CH-0793076, a hexacyclic camptothecin analog, is an active drug and major metabolite of TP300. CH-0793076 is efficacious against cells expressing BCRP (breast cancer resistance protein) . CH-0793076 inhibits DNA topoisomerase I (IC50: 2.3 μM) .

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 9981577

CAS Number	534605-78-2
PubChem CID	9981577
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 Formula	C26H26N4O4
Molecular Weight	458.5
XLogP	1.9
Topological Polar Surface Area	95.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	989

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

CAS: 534605-78-2

CID: 9981577

Formula: C26H26N4O4

MW: 458.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.5
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	458.19540532
Monoisotopic Mass	458.19540532
Topological Polar Surface Area	95.3 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	989
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T30861-01	CH 200
TP2045-01	CH 275
T30863	CH 402
T30860	CH 150
TP1012-01	CH 5450
T30867	CH-4933468
T30865	CH-0076989
T30858-01	CH 102
T30859-01	CH 141
T30866-01	CH-100

Alternative Products

Catalog	Name
HY-107096	CH-0793076
MBS5815765	CH-0793076 TFA
HY-107096B-01	CH-0793076 (TFA)
HY-163235	Phenyl phenylcarbamate-CH-5-methoxypicolinamide-CH-CH-Ph-CF3
ZGA68878-01	CH 275
FC137662-01	CH-223191
HY-122894	Ch-319
254955-01	Ch 55
MBS3846397-01	CH 5450
MBS5780491-01	CH-100

CH-0793076

Chemical Information

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