5,6-二甲基呫吨酮-4-乙酸

Description

5,6-Dimethylxantheonone-4-acetic acid · CAS 117570-53-3 · C17H14O4. UNII 0829J8133H.

Identification

CAS Registry Number	117570-53-3
PubChem CID	123964
Molecular formula	C17H14O4
IUPAC name	2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
UNII (FDA)	0829J8133H

Computed Descriptors

Molecular Weight	282.29
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	282.08920892
Monoisotopic Mass	282.08920892
Topological Polar Surface Area	63.6
Heavy Atom Count	21
Formal Charge	0

GHS Hazard Classification

Reported hazard statements	H302 (100%), H400 (97.5%)

Documented Uses

• Investigated for use/treatment in solid tumors, lung cancer, ovarian cancer, and prostate cancer.
• Substances that inhibit or prevent the proliferation of NEOPLASMS.
• DMXAA has known human metabolites that include (2S,3S,4S,5R)-6-[2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid and 6-hydroxy-MXAA.
• ASA404 (DMXAA) is a small-molecule vascular disrupting agent which targets the blood vessels that nourish tumours. The proposed mechanism of action for ASA404 is directly increasing permeability of the tumor's endothelial cells. Vasoactive mediators such as tumor necrosis factor (TNF) may also be implicated. Increased permeability of tumor cell vasculature may allow increased permeation of anticancer treatments such as cytotoxic drugs, antibodies, drug conjugates and gene therapy.

Synonyms

Vadimezan; 117570-53-3; DMXAA; 5,6-Mexaa; 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid; 5,6-Dimethylxanthenone-4-acetic acid; AS-1404; ASA-404; ASA404; NSC-640488; 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-; 5,6-dimethylxanthenoneacetic acid; Dimethyloxoxanthene acetic acid; 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid; vadimezanum; NSC 640488

Frequently Asked Questions

What are the CAS number and molecular formula of 5,6-Dimethylxantheonone-4-acetic acid?

CAS 117570-53-3; molecular formula C17H14O4; molecular weight — g/mol.

What other names is 5,6-Dimethylxantheonone-4-acetic acid known by?

Vadimezan, 117570-53-3, DMXAA, 5,6-Mexaa, 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, 5,6-Dimethylxanthenone-4-acetic acid.

Is 5,6-Dimethylxantheonone-4-acetic acid classified as hazardous?

Hazard statements reported: H302, H400.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.