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CAP-7.1

CAT: 0013-GTR19197961-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197961-02Size:50 mg
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Description
CAP-7.1 is a DNA topoisomerase inhibitor investigated for its therapeutic potential in cancers such as biliary tract and non-small cell lung cancer. Research applications include in vitro studies on cancer cell lines and in vivo models to evaluate its antitumor efficacy and mechanism of action.
CAS Number
433304-61-1
Smiles
O=C1[C@@]2 ([C@@H] (C=3C ([C@@H] (O[C@@H]4O[C@]5 ([C@] ([C@H] (O) [C@H]4O) (O[C@H] (C) OC5) [H]) [H]) [C@]2 (CO1) [H]) =CC6=C (C3) OCO6) C7=CC (OC) =C (OC (OCC8OC (C) (C) OC8) =O) C (OC) =C7) [H]
Molecular Formula
C36H42O17
Molecular Weight
746.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Etoposide Toniribate

Etoposide Toniribate is a prodrug of etoposide, a semisynthetic derivative of podophyllotoxin extracted from the mandrake root Podophyllum peltatum, with potential antineoplastic activity. Upon intravenous administration of etoposide toniribate, etoposide is released after enzymatic cleavage of CAP7.1 by specific carboxylesterases (CE) 1 and 2, which are upregulated in certain tumor cell types. Etoposide acts primarily in the G2 and S phases of the cell cycle. This drug binds to and inhibits topoisomerase II, an enzyme elevated in tumor cells. This results in the accumulation of double-strand DNA breaks, the inhibition of DNA replication and transcription and the induction of apoptotic cell death. The tumor-specific activation of etoposide increases its efficacy while lowering its systemic toxicity.

CAS Number433304-61-1
PubChem CID101163123
IUPAC Name[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
Molecular FormulaC36H42O17
Molecular Weight746.7
XLogP1.4
Topological Polar Surface Area195
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Heavy Atom Count53
Formal Charge0
Complexity1300
SMILES
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)OCC8COC(O8)(C)C)OC)O)O
InChI
InChI=1S/C36H42O17/c1-15-43-13-25-32(49-15)28(37)29(38)34(50-25)51-30-19-9-22-21(46-14-47-22)8-18(19)26(27-20(30)12-44-33(27)39)16-6-23(41-4)31(24(7-16)42-5)52-35(40)45-10-17-11-48-36(2,3)53-17/h6-9,15,17,20,25-30,32,34,37-38H,10-14H2,1-5H3/t15-,17?,20+,25-,26-,27+,28-,29-,30-,32-,34+/m1/s1
InChIKey
FCWSQAKOPTZCOD-SQYSSJHTSA-N
Chemical Structure
2D Structure
2D structure of Etoposide Toniribate
CAS: 433304-61-1
CID: 101163123
Formula: C36H42O17
MW: 746.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.7
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Exact Mass746.24219987
Monoisotopic Mass746.24219987
Topological Polar Surface Area195 Ų
Heavy Atom Count53
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T26943-01CAP-7.1
A10R91Recombinant Cap a 7
T72124-01Cap-dependent endonuclease-IN-7
T71799-01CAP-1
A10R89Recombinant Cap a 1
139072CAP1 (CAP, CAP 1, Adenylyl Cyclase-associated Protein 1)
353231CAP1 (Adenylyl Cyclase-Associated Protein 1, CAP-1, CAP 1, CAP, CAP1 PEN, CAP1-PEN)
7351-20HAssy Frit Cap Open 7.8mm 2um
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