Basic information
- CAS
54301-15-4- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.Cl- InChIKey
WDISRLXRMMTXEV-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O3S
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.0913904
Overview
See also: Amsacrine (annotation moved to).
Names & identifiers
- Preferred name
- Amsacrine Hydrochloride
- IUPAC
- N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride
- English name
- Amsacrine hydrochloride
- Molecular formula
- C21H20ClN3O3S
- Molecular weight
- 429.92
Names & synonyms
Amsacrine hydrochloride54301-15-4m-Amsa hydrochlorideU66HX4K4CONSC-141549RefChem:112358637-255-8Amsacrine HClM-AmsacrineN-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide hydrochlorideMFCD07799963DTXSID2037186
Show more names
nsc141549nci-c03190M-AMSA, HCLAmsacrine HCIMETA-AMSACRINEAMSA hydrochlorideacridinyl anisidide hydrochloride
Amsacrine (hydrochloride)4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochlorideNSC 1415494-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine hydrochlorideTox21_111212s5627NCGC00093644-01NCGC00260839-01
Database identifiers
- CAS
54301-15-4- PubChem CID
- 148673
- DTXSID
DTXSID2037186- ChEMBL
CHEMBL1256655- UNII
- U66HX4K4CO
Properties
Computed structural properties
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Melting point
- 197 · 197-199 °C(lit.)
- storage temp.
- Refrigerator
- solubility
- 10 mg/mL · DMSO: 10 mg/mL with heat and sonication
- form
- powder
- color
- red to brown
- 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
- SMILES
- Cl.COc1cc(NS(C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24
- FDA UNII
- 66 HX4K4CO · U66HX4K4CO
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317-H341-H351-H361d
- Precautionary statements
- 202 · P202-P261-P264-P280-P301+P310-P302+P352
- PPE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMethanesulfonamide, N-4-(9-acridinylamino)-3-methoxyphenyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- PB1081000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933.99.8290
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 26-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.
Applications
UsesAmsacrine hydrochloride has been used: as a topoisomerase poison in bacteriophage T4 topoisomerase assayas a topoisomerase inhibitor in Drosophila cell line, Kc167 as an antileukemia drug to test its effect on p53 transcriptional activity in tumor xenograftsas a topoisomerase II poison in dose-response assays in C elegans
Upstream & downstream products
Downstream products
Suppliers83 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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