TAS-103 dihydrochloride

CAT: 1568-C04682-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C04682-5mgSize:5 mg

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CAS Number

174634-09-4

Synonyms

BMS-247615 dihydrochloride

Additionnal Information

TAS-103 dihydrochloride is a dual inhibitor of DNA topoisomerase I/II, used for cancer research.

Storage Conditions

3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Tas-103

TAS-103 is a quinoline derivative that inhibits both topoisomerase I and II, causing a cytotoxic effect in cancer cells. (NCI)

CAS Number	174634-09-4
PubChem CID	135413532
IUPAC Name	6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one;dihydrochloride
Molecular Formula	C20H21Cl2N3O2
Molecular Weight	406.3
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	497

SMILES

CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43.Cl.Cl

InChI

InChI=1S/C20H19N3O2.2ClH/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20;;/h3-8,11,24H,9-10H2,1-2H3,(H,21,22);2*1H

InChIKey

HAYAYGFVSIWSGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174634-09-4

CID: 135413532

Formula: C20H21Cl2N3O2

MW: 406.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	405.1010823
Monoisotopic Mass	405.1010823
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	497
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
MBS3610643-01	TAS-103 (dihydrochloride)
E8011-5mg	TAS-103 dihydrochloride
466813-01	TAS 103 Dihydrochloride
MBS130388-01	TAS 103 dihydrochloride, BMS 247615 dihydrochloride
T36695-01	TAS-103
A21954-50	TAS-103 50mg
MBS3840218-01	TAS 103 2HCl
A21954-10	TAS-103 10mg
A21954-5	TAS-103 5mg
A21954-1	TAS-103 1mg