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6-(Methylthio)-9-β-D-ribofuranosyl-9H-purin

6-Methylmercaptopurine Riboside

HCID 9570
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
342-69-8
Standard-SMILES
CSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
ZDRFDHHANOYUTE-IOSLPCCCSA-N
Summenformel
C11H14N4O4S
Durchschnittliche Molmasse
298,32 g/mol
Monoisotopische Masse
298,07357593

Überblick

6-methylmercaptopurine riboside is a white powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
6-Methylmercaptopurine Riboside
IUPAC
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Lokaler Name
6-(Methylthio)-9-β-D-ribofuranosyl-9H-purin
Englischer Name
6-Methylmercaptopurine riboside
Summenformel
C11H14N4O4S
Molmasse
298.32

Namen und Synonyme

6-Methylmercaptopurine riboside342-69-8METHYLTHIOINOSINE6-Methylthiopurine ribosideMMPRMe6MPR6-Methyl MP riboside6-Methyl MP-riboside6-MMPR6-Methylthioinosine6-Methylmercaptopurine ribonucleosideMethylmercaptopurine riboside
Weitere Namen anzeigen
nsc40774SQ-219776-SMe-PuR6-methylmp-riboside6-(methylthio)-inosinMercaptopurine Impurity 28
6-(Methylthio)purine ribonucleosideInosine, 6-S-methyl-6-thio-6-S-methyl-6-thioinosine6-Methyl-9-ribofuranosylpurine-6-thiolNCI-C04784beta-D-Ribosyl-6-methylthiopurineY5G39SHR0VDTXSID5030454

Datenbank-Bezeichner

CAS
342-69-8
PubChem CID
9570
DTXSID
DTXSID5030454
ChEMBL
CHEMBL388931

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
139 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
3
Schwere Atome
20
Formalladung
0
Komplexität
352

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Solubility · 5 Einträge

5 to 10 mg/mL at 66 °F (NTP, 1992)

DMA 167 (mg/mL)

50% DMF 50 (mg/mL)

H 25 (mg/mL)

Propylene glycol 6 (mg/mL)

Optical Rotation(c = 1, H2O) [a]22 D = - 58.0 ± 2
Physical Description6-methylmercaptopurine riboside is a white powder. (NTP, 1992)
Stability/Shelf Life · 1 Eintrag

Bulk: The compound is stable to light and air, mildly decomposed by heat and acid, and is totally degraded by base and peroxidant (HPLC). Solution: A saturated solution at room temperature showed no detectable decomposition after 10 days (paper chromatography).

Physikochemische Eigenschaften

Schmelzpunkt
166 °C · 166°C
Dichte
1.4113 · 1.4113 (rough estimate)
Brechungsindex
1.627 · 1.6270 (estimate)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Reactive GroupAlcohols and Polyols
Air and Water ReactionsSlightly soluble in water.

Sicherheit und Schutzausrüstung

First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Chemie und Industrie

Anwendungen

Verwenden6-Methylmercaptopurine Riboside (cas# 342-69-8) is a compound useful in organic synthesis.

Anbieter49 Anbieter

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
攀纳燊(河南)医药科学技术有限公司0371-65325800 13700860222 · [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]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海博路生物科技有限公司13062875887 · [email protected]

Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 2256195
HRID 2256195als Produktuspto-grants-1997_08

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
ChEBI
CHEBI:44081
UNII
Y5G39SHR0V
EC Number
206-442-2
Nikkaji
J53.894I
storage temp.
-20 °C · -20°C
Löslichkeit
DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
Aggregatzustand
Solid
Farbe
White to Off-White
Biologische Quelle
synthetic (organic)
Stabilität
Incompatible with strong oxidizing agents.
InChI
1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3
InChIKey
ZDRFDHHANOYUTE-UHFFFAOYSA-N
SMILES
O[C@H]([C@@H](CO)O1)[C@@H](O)[C@@H]1N2C=NC3=C(SC)N=CN=C32
EPA chemische Informationen
6 · 6-Methylmercaptopurine riboside (342-69-8)
Toxicity Data
Rat(ip): LD50: 65 mg/kg

Sicherheitsdaten

wgk
3
hs_code
29349990
RTECS-Nr.
UO8985000
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids
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TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海玄亨医药科技有限公司18202133986 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
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上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
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广州优南科技有限公司020-82000279 18988941452 · [email protected]
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Ergänzende Hinweise

DefinitionChEBI: A thiopurine that is inosine in which the aromatic hydroxy group is replaced by a methylsulfanediyl group.