Geldanamycin

HCID 5288382

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Grundinformationen

CAS: 30562-34-6
Standard-SMILES: COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
InChIKey: QTQAWLPCGQOSGP-KSRBKZBZSA-N
Summenformel: C29H40N2O9
Durchschnittliche Molmasse: 560,6 g/mol
Monoisotopische Masse: 560,27338086

Überblick

Geldanamycin is an ansamycin consisting of a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It shows antimicrobial activity against many Gram-positive and some Gram-negative bacteria. It has a role as an antiviral agent, an antimicrobial agent, an antineoplastic agent, a Hsp90 inhibitor and a cysteine protease inhibitor. It is a member of 1,4-benzoquinones, an ansamycin, a carbamate ester and an organic heterobicyclic compound.

Namen und Bezeichner

Bevorzugter Name: Geldanamycin
IUPAC: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-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

Namen und Synonyme

geldanamycin30562-34-6geldanomycinZ3K3VJ16KUNSC-122750CHEBI:5292DTXSID7042691[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamateAntibiotic U 29135[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamateAntibiotic (U-29,135)NSC212518

Weitere Namen anzeigen

((3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo(16.3.1)docosa-1(21),8,12,14,18-pentaen-10-yl) carbamate((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-pentaen-9-yl) carbamateRefChem:142823DTXCID5022691805-356-8NSC122750MFCD00274570U-29135

Datenbank-Bezeichner

CAS: 30562-34-6、368455-10-1
PubChem CID: 5288382
DTXSID: DTXSID7042691
ChEMBL: CHEMBL278315
ChEBI: CHEBI:5292
UNII: Z3K3VJ16KU
EC Number: 805-356-8

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 2
Polarare Oberfläche (TPSA): 163 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 5
Schwere Atome: 40
Formalladung: 0
Komplexität: 1.150

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Antibiotics

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Exogenous and endogenous compounds which inhibit CYSTEINE ENDOPEPTIDASES.