阿尔维螺旋霉素

Description

Alvespimycin · CAS 467214-20-6 · C32H48N4O8. UNII 001L2FE0M3.

Identification

CAS Registry Number	467214-20-6
PubChem CID	5288674
Molecular formula	C32H48N4O8
IUPAC name	[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
UNII (FDA)	001L2FE0M3

Computed Descriptors

Molecular Weight	616.7
XLogP3	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	616.34721450
Monoisotopic Mass	616.34721450
Topological Polar Surface Area	170
Heavy Atom Count	44
Formal Charge	0

Physical description & handling notes

• Soluble

GHS Hazard Classification

Reported hazard statements	H302 (100%), H312 (100%), H319 (100%)

Documented Uses

• Investigated for use as an antineoplastic agent for solid tumors, advanced solid tumours or acute myeloid leukaemia.
• Increasing concentration of the drug results in dose-proportional increase in the plasma concentration. At the maximum tolerated dose of 80mg/m^2, the plasma concentration exceeded 63nM (mean IC50 for 17-DMAG in the NCI 60 human tumor cell line panel) for less than 24 hours in all patients. The mean peak concentration (Cmax) reached 2680 nmol/L at this dose.
• Mainly renal and biliary elimination pathways. In a mice study, the excreted urine 24 hours post-dose recovered 10.6–14.8% of delivered dose unchanged.
• At the maximum tolerated dose of 80mg/m^2, the mean Vd value is 385 L.
• The mean clearance is 18.9 L/hr at the dose of 80mg/m^2.
• Alvespimycin demonstrates redox cycling catalyzed by purified human cytochrome P450 reductase (CYP3A4/3A5) to quinones and hydroquinones. It could also form glutathione conjugates at the 19-position on the quinone ring. However in vivo and in vitro studies suggest that weak metabolism of alvespimysin occurs in humans.

Synonyms

alvespimycin; 467214-20-6; 17-DMAG; Alvespimycin [INN]; alvespimicina; alvespimycine; UNII-001L2FE0M3; 17-dimethylaminoethylamino-17-demethoxygeldanamycin; CHEBI:65324; 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin; NSC707545; NSC-707545; ALVESPIMYCIN [WHO-DD]; 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN; 17-dimethylaminoethylamino-17-demethoxy-geldanamycin; 17-(dimethylaminoethylamino)-17-demethoxy-geldanamycin

Frequently Asked Questions

What are the CAS number and molecular formula of Alvespimycin?

CAS 467214-20-6; molecular formula C32H48N4O8; molecular weight — g/mol.

What other names is Alvespimycin known by?

alvespimycin, 467214-20-6, 17-DMAG, Alvespimycin [INN], alvespimicina, alvespimycine.

Is Alvespimycin classified as hazardous?

Hazard statements reported: H302, H312, H319.

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.