Decyclohexanamine-Exatecan

CAT: 0931-T87712-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T87712-01Size:1 mg

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CAS Number

2505045-51-0

Target

ADC Cytotoxin, Topoisomerase

Related Pathways

Antibody-drug Conjugate/ADC Related, DNA Damage/DNA Repair

Purity

0.97514

Bioactivity

Decyclohexanamine-Exatecan is a derivative of the camptothecin class of molecules, with its structural composition incorporating Exatecan. Decyclohexanamine-Exatecan has been developed for use as an antibody-drug conjugate (ADC) cytotoxin, thereby providing an effective payload option in targeted oncology research models.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Decyclohexanamine-Exatecan

CAS Number	2505045-51-0
PubChem CID	155242596
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 Formula	C21H17FN2O4
Molecular Weight	380.4
XLogP	1.5
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	808

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

CAS: 2505045-51-0

CID: 155242596

Formula: C21H17FN2O4

MW: 380.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	380.4
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	380.11723519
Monoisotopic Mass	380.11723519
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	808
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
T11249-01	Exatecan
T77901-01	Ac-Exatecan
T87855-01	CB07-Exatecan
TQ0088-01	Exatecan Mesylate
T205760-01	Exatecan hydrochloride
T205546	Mal-Exatecan
T208344-01	Exatecan intermediate 8
T89644-01	Exatecan Intermediate 6
T88168-01	GGFG-PAB-Exatecan
T88134-01	(5-Cl) -Exatecan

Alternative Products

Catalog	Name
BA2357-10	Decyclohexanamine-Exatecan
C03554-25mg	Exatecan
CS-O-47297	Exatecan Hydroxyacid
FE72401-01	Exatecan mesylate
HY-156617-01	Cyclopropaneacetamide-Exatecan
HY-160015-01	CB07-Exatecan
A11231-500	Exatecan 500mg
A11231-25	Exatecan 25mg

Decyclohexanamine-Exatecan

Chemical Information

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