Grundinformationen
- Standard-SMILES
Nc1nc(N)c2[nH]cnc2n1- InChIKey
MSSXOMSJDRHRMC-UHFFFAOYSA-N- Summenformel
- C5H6N6
- Durchschnittliche Molmasse
- 150,14 g/mol
- Monoisotopische Masse
- 150,06539419
Überblick
9H-purine-2,6-diamine is a member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. It has a role as an antineoplastic agent. It is a member of 2,6-diaminopurines and a primary amino compound. It is functionally related to an adenine.
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Diaminopurine
- IUPAC
- 7H-purine-2,6-diamine
- Lokaler Name
- Purin-2,6-diyldiamin
- Englischer Name
- 2,6-Diaminopurine
- Summenformel
- C5H6N6
- Molmasse
- 150.14
Namen und Synonyme
2,6-Diaminopurine1904-98-97H-purine-2,6-diamine2-Aminoadenine9H-Purine-2,6-diamine1H-Purine-2,6-diamine49P95BAU4ZNSC-743NSC743DTXSID0062052CHEBI:40235RefChem:445298
Weitere Namen anzeigen
PYRIDINE-2,6-DIAMINEx79X 7926DAPYsq21065
DTXCID6035998CHEBI:38001217-605-22,6-diamino-9h-purine26-diaminopurinePurine, 2,6-diamino-Clofarabine Impurity 2NSC 743
Datenbank-Bezeichner
- CAS
133762-79-5、1904-98-9- PubChem CID
- 30976
- DTXSID
DTXSID0062052- ChEMBL
CHEMBL388596- ChEBI
CHEBI:40235- UNII
- 49P95BAU4Z
- EC Number
- 217-605-2
- Nikkaji
- J3.379K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 150
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 285 °C · 285 °C(lit.)
- Dichte
- 1.2562 · 1.2562 (rough estimate)
- Brechungsindex
- 1.875 · 1.8750 (estimate)
- Flammpunkt
- 155 °C · 155 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Crystalline Powder or Granules
- pka
- 8.61 · 8.61±0.20(Predicted)
- Farbe
- White to light yellow
- Wasserlöslichkeit
- 2.38 g/L · 2.38 g/L (20 ºC)
- Merck
- 14 · 14,2985
- BRN
- 9624 · 9624
- InChI
- 1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
- InChIKey
- MSSXOMSJDRHRMC-UHFFFAOYSA-N
- SMILES
- Nc1nc(N)c2nc[nH]c2n1
- CAS Datenbank
- 1904 · 1904-98-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Purine, 2,6-diamio-(1904-98-9)
- EPA chemische Informationen
- 2 · 2,6-Diaminopurine (1904-98-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1H-Purine-2,6-diamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (88.2%)
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335990
- RTECS-Nr.
- US7570000
- risk_code
- 22-36/37/38-40-20/21/22
- hazard_code
- Xn
- safety_code
- 26-45-36/37-36/37/39-27-36-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds that inhibit cell production of DNA or RNA.
Verwendung und Herstellung
General Manufacturing Information9H-Purine-2,6-diamine: ACTIVE
Anwendungen
Verwenden2,6-Diaminopurine can be used as analyte for biological and analytical studies of incorporation of unnatural nucleotides into mutant tRNA and proteins.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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河南福雷斯特新材料科技有限公司18639096640 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
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上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
新乡市翌诚生物科技有限公司0373-5799336 18937330588 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
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江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
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广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
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北京海力扬化学科技有限公司13718199399 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.
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