Hypothemycin
Grundinformationen
- CAS
76958-67-3- Standard-SMILES
COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O- InChIKey
SSNQAUBBJYCSMY-KNTMUCJRSA-N- Summenformel
- C19H22O8
- Durchschnittliche Molmasse
- 378,4 g/mol
- Monoisotopische Masse
- 378,13146766
Überblick
Hypothemycin is a macrolide that is isolated from the cultured broth of Hypomyces subiculosus and shows antifungal activity and inhibits the growth of some human cancer cells. It has a role as an antineoplastic agent, an antifungal agent, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a diol, a secondary alpha-hydroxy ketone, a macrolide, a polyketide, an epoxide, a member of phenols, an aromatic ether and an enone.
Namen und Bezeichner
- Bevorzugter Name
- Hypothemycin
- IUPAC
- (2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
- Englischer Name
- HYPOTHEMYCIN
- Summenformel
- C19H22O8
- Molmasse
- 378.37
Namen und Synonyme
HYPOTHEMYCIN76958-67-3CHEBI:83275DTXSID301017784(2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo(13.4.0.02,4)nonadeca-1(15),9,16,18-tetraene-8,14-dione(2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dioneRefChem:147482DTXCID601475965(9E)-2,3,16-trihydroxy-18-methoxy-12-methyl-6,13-dioxatricyclo(13.4.0.05,7)nonadeca-1(15),9,16,18-tetraene-8,14-dione(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dioneCHEMBL471474
Weitere Namen anzeigen
f 152 D2Nsc354462HypothemicinHypothemycin, MEK inhibitorHypothemycin - CAS 76958-67-3 - Calbiochem(1aR,3S,4S,6Z,9S,15bR)-1a,8,9,15b-Tetrahydro-3,4,12-trihydroxy-14-methoxy-9-methyl-3H-oxireno[k][2]benzoxacyclotetradecin-5,11(2H,4H)-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 126 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 590
Physikochemische Eigenschaften
- Schmelzpunkt
- 170 · 170-172℃
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO: soluble
- Aggregatzustand
- Lyophilized solid
- Farbe
- White
- Biologische Quelle
- Hypomyces trichothecoides
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
- InChIKey
- SSNQAUBBJYCSMY-KNTMUCJRSA-N
- SMILES
- COc1cc(O)c2C(=O)O[C@@H](C)CC=CC(=O)[C@@H](O)[C@@H](O)CC3OC3c2c1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29419000
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
VerwendenHypothemycin is a potent and selective inhibitor of threonine/tyrosine-specific kinase, MEK, and other protein kinases that contain a conserved cysteine residue in the ATP-binding site in in vitro studies.
Anbieter17 Anbieter
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
深圳市丽晶生化科技有限公司
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