6-Chlorpurin

6-Chloropurine

HCID 5359277CAS 133762-83-1
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Grundinformationen

Standard-SMILES
Clc1ncnc2nc[nH]c12
InChIKey
ZKBQDFAWXLTYKS-UHFFFAOYSA-N
Summenformel
C5H3ClN4
Durchschnittliche Molmasse
154,56 g/mol
Monoisotopische Masse
154,00462378

Überblick

6-Chloro-1H-purine is a member of purines.

Namen und Bezeichner

Bevorzugter Name
6-Chloropurine
IUPAC
6-chloro-7H-purine
Lokaler Name
6-Chlorpurin
Englischer Name
6-Chloropurine
Summenformel
C5H3ClN4
Molmasse
154.56

Namen und Synonyme

6-CHLOROPURINE87-42-36-Chloro-9H-purineSK 6048NSC-744OH8700156WDTXSID00861673RefChem:541955DTXCID50207764201-745-66-chloro-7H-purine6-Chloro-1H-purine
Weitere Namen anzeigen
ClP6-chloro-5H-purine6-chloro-purinx47X 47HSD26
1H-Purine, 6-chloro-Purine, 6-chloro-6-Chlorpurine6-CP6-Chloropurin-9-yl6-chloropurinMFCD00075825111055-92-6

Datenbank-Bezeichner

CAS
133762-83-1、87-42-3
PubChem CID
5359277
DTXSID
DTXSID00861673
ChEMBL
CHEMBL140037
ChEBI
CHEBI:177625
UNII
OH8700156W
EC Number
201-745-6
Nikkaji
J3.900D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
54,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Purines
Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300 °C (dec.) (lit.)
Siedepunkt
254.17 °C · 254.17°C (rough estimate)
Dichte
1.4649 · 1.4649 (rough estimate)
Brechungsindex
1.843 · 1.8430 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
5 g/L · 5 g/L

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 79 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information1H-Purine, 6-chloro-: 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.
Hazards SummaryHarmful by ingestion; Targets the liver; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F
10-23
wgk
3
hs_code
29335990
RTECS-Nr.
UO7520000
risk_code
22-36/37/38-20/21/22
Toxizität
LD50 oral in mouse: 720mg/kg

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Substances that inhibit or prevent 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.

Verwendung und Herstellung

UsesMetabolized to form 6-mercaptopurine. [ChemIDplus] Has been used as an antineoplastic; [REPROTOX]

Anwendungen

Verwenden6-Chloropurine is used in the preparation of 9-alkylpurines through alkylation with various substituted alkyl halides in dimethyl sulfoxide. It is also used to prepare 6-succinoaminopurine.

Darstellung · 1 Eintrag

synthetische6-chloropurine is synthesized by reacting hypoxanthine with phosphoryl chloride in the presence of an unreactive base such as dimethyl aniline. It may likewise be formed by heating hypoxanthine under pressure with phosphoryl chloride as well as with a reagent prepared by adding water, preferably about by volume, to dry phosphoryl chloride.US2832781A

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]

Ergänzende Hinweise

DefinitionChEBI: 6-Chloro-1H-purine is a member of purines. It is metabolized to form 6-mercaptopurine and has been used as an antineoplastic.

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