Home > Compound List > Compound details
54301-15-4 molecular structure
click picture or here to close

N-{4-[(acridin-9-yl)amino]-3-methoxyphenyl}methanesulfonamide hydrochloride

ChemBase ID: 134337
Molecular Formular: C21H20ClN3O3S
Molecular Mass: 429.9198
Monoisotopic Mass: 429.0913902
SMILES and InChIs

SMILES:
COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C.Cl
Canonical SMILES:
COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C.Cl
InChI:
InChI=1S/C21H19N3O3S.ClH/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-13,24H,1-2H3,(H,22,23);1H
InChIKey:
WDISRLXRMMTXEV-UHFFFAOYSA-N

Cite this record

CBID:134337 http://www.chembase.cn/molecule-134337.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{4-[(acridin-9-yl)amino]-3-methoxyphenyl}methanesulfonamide hydrochloride
IUPAC Traditional name
amsacrine hydrochloride
Synonyms
4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine hydrochloride
m-AMSA
Amsacrine hydrochloride
CAS Number
54301-15-4
MDL Number
MFCD07799963
PubChem SID
162228613
24278248
PubChem CID
148673

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A9809 external link Add to cart Please log in.
Data Source Data ID
PubChem 148673 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.824813  H Acceptors
H Donor LogD (pH = 5.5) 1.4867606 
LogD (pH = 7.4) 2.164806  Log P 3.1616213 
Molar Refractivity 107.6901 cm3 Polarizability 44.860916 Å3
Polar Surface Area 80.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
30% ethanol: soluble4 mg/mL expand Show data source
DMSO: soluble10 mg/mL (with heat and sonication) expand Show data source
Apperance
red to brown powder expand Show data source
Melting Point
197-199 °C(lit.) expand Show data source
RTECS
PB1081000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25-36/37/38 expand Show data source
Safety Statements
26-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Gene Information
human ... TOP2A(7153), TOP2B(7155) expand Show data source
Purity
≥98% (TLC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A9809 external link
Biochem/physiol Actions
Amsacrine hydrochloride is a DNA topoisomerase II inhibitor.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle