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Decyclohexanamine-Exatecan

CAT: 0013-GTR19234516-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234516-01Size:1 mg
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Description
Decyclohexanamine-Exatecan is a camptothecin-derived cytotoxin designed as a potent payload for antibody-drug conjugates (ADCs) . It is utilized in targeted cancer research, demonstrating activity in both in vitro cytotoxicity assays and in vivo xenograft models for evaluating novel therapeutic strategies.
CAS Number
2505045-51-0
Product Name Alternative
ADCCytotoxin, ADC Cytotoxin
Field of Research
Molecular Biology, Pharmacology & Drug Discovery
Purity
97.51% (May vary between batches)
Solubility
DMSO:≥ 24 mg/mL
Smiles
C (C) [C@]1 (O) C2=C (C (=O) N3C (=C2) C=4C (C3) =CC=5C (N4) =CC (F) =C (C) C5) COC1=O
Molecular Formula
C21H17FN2O4
Molecular Weight
380.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decyclohexanamine-Exatecan
CAS Number2505045-51-0
PubChem CID155242596
IUPAC Name(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Molecular FormulaC21H17FN2O4
Molecular Weight380.4
XLogP1.5
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity808
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)C)F)O
InChI
InChI=1S/C21H17FN2O4/c1-3-21(27)14-6-17-18-12(5-11-4-10(2)15(22)7-16(11)23-18)8-24(17)19(25)13(14)9-28-20(21)26/h4-7,27H,3,8-9H2,1-2H3/t21-/m0/s1
InChIKey
GATBZNISYBKSSQ-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Decyclohexanamine-Exatecan
CAS: 2505045-51-0
CID: 155242596
Formula: C21H17FN2O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass380.11723519
Monoisotopic Mass380.11723519
Topological Polar Surface Area79.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity808
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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