Grundinformationen
- CAS
1198-47-6- Standard-SMILES
CSc1nc(N)nc2nc[nH]c12- InChIKey
YEGKYFQLKYGHAR-UHFFFAOYSA-N- Summenformel
- C6H7N5S
- Durchschnittliche Molmasse
- 181,22 g/mol
- Monoisotopische Masse
- 181,04221622
Überblick
6-methylthioguanine is a metabolite of thioguanine, a drug used in cancer chemotherapy. It has a role as a human xenobiotic metabolite. It is a member of 2-aminopurines and a thiopurine. It is functionally related to a tioguanine.
Namen und Bezeichner
- Bevorzugter Name
- 6-Methylthioguanine
- IUPAC
- 6-methylsulfanyl-7H-purin-2-amine
- Lokaler Name
- 6-(Methylthio)-1H-purin-2-amin
- Englischer Name
- 6-Methylthioguanine
- Summenformel
- C6H7N5S
- Molmasse
- 181.22
Namen und Synonyme
6-Methylthioguanine1198-47-6QNV75HJN3ANSC-29420s6-methylthioguanineDTXSID60152594RefChem:544051DTXCID4075085214-833-42-Amino-6-methylmercaptopurine6-(methylthio)-7H-purin-2-amine2-Amino-6-methylthiopurine
Weitere Namen anzeigen
RMA-349NSC 29420TIMTEC-BB SBB000228S-Methyl-6-thioguanineMercaptopurine Impurity 296-Methylthioguanine USP/EP/BP
6-methylsulfanyl-7H-purin-2-amine6-(methylsulfanyl)-7H-purin-2-aminePurine, 2-amino-6-(methylthio)-1H-Purin-2-amine, 6-(methylthio)-6-(methylsulfanyl)-9H-purin-2-amine9H-Purin-2-amine, 6-(methylthio)-S6-Methyl-6-thioguanine6-(Methylthio)-1H-purin-2-amine
Datenbank-Bezeichner
- CAS
1198-47-6- PubChem CID
- 70976
- DTXSID
DTXSID60152594- ChEMBL
CHEMBL1172777- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 106 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 166
Physikochemische Eigenschaften
- Schmelzpunkt
- 235.5 °C · 235.5°C
- Dichte
- 1.403 · 1.403 (estimate)
- Brechungsindex
- 1.4606 · 1.4606 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- solid
- Farbe
- White to Off-White
- InChI
- 1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
- InChIKey
- YEGKYFQLKYGHAR-UHFFFAOYSA-N
- SMILES
- [H]n1cnc2c(SC)nc(N)nc12
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1H-Purin-2-amine, 6-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29335995
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 24/25-39-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenAs a metabolite of 2’-Deoxy-6-thio Guanosine (D281650) and 6-Thioguanine, 6-Methylthioguanine can be used as an effective immunosuppressant and anticancer agent, however chronic exposure can be mutagenic in human cells as long-term use of thiopurines was found to be associated with a significantly increased risk of various types of cancer.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter54 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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