Dacarbazin

5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide

HCID 2942
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Grundinformationen

CAS
4342-03-4
Standard-SMILES
CN(C)N=Nc1nc[nH]c1C(N)=O
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
Summenformel
C6H10N6O
Durchschnittliche Molmasse
182,18 g/mol
Monoisotopische Masse
182,09160896

Überblick

Dacarbazine can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

Namen und Bezeichner

Bevorzugter Name
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
IUPAC
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide
Lokaler Name
Dacarbazin
Englischer Name
Dacarbazine
Summenformel
C6H10N6O
Molmasse
182.18

Namen und Synonyme

(E)-5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide750512-03-95- (3,3-Dimethyl-1-triazenyl) imidazole-4-carboxamide(E)-DacarbazineDtic-Dome (TN)DTIESMR000857131Dacarbazinum [INN-Latin]Dacarbazino [INN-Spanish]C6H10N6ODimethyltriaTox21_201010
Weitere Namen anzeigen
DTICdtic-domedeticeneWR139007dtic-aomeNSC-45388WR 139007WR-139007nci-c04717
Dacarbazine RSDacarbazine CRSMFCD000571675-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide; DTIC; DIC; NSC-45388;Prestwick_904Spectrum_000884Prestwick0_000574Prestwick1_000574

Datenbank-Bezeichner

CAS
4342-03-4
PubChem CID
2942
DTXSID
DTXSID0020369
ChEMBL
CHEMBL1574179
ChEBI
CHEBI:4305

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,6
Polarare Oberfläche (TPSA)
99,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Antibiotics

LogP · 2 Einträge

-1.6

-0.24

Solubility1.36e+00 g/L
Melting Point205 °C
Physical DescriptionSolid
Collision Cross Section142.75 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
199 · 199-205°C
Siedepunkt
315.57 °C · 315.57°C (rough estimate)
Dichte
1.3206 · 1.3206 (rough estimate)
Brechungsindex
1.75 · 1.7500 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
Slightly soluble in water and in anhydrous ethanol, practically insoluble in methylene chloride.

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
hs_code
29349990
RTECS-Nr.
NI3950000
risk_code
45-46-20/21/22-36/37/38
hazard_code
T,Xi,Xn
safety_code
53-36/37/39-45-37/39-36-26

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesDacarbazine has known human metabolites that include MTIC.
Cellular LocationsCytoplasm
Anwendungen · 2 Einträge

BeschreibungDacarbazine is nevertheless considered the first representative of the series of triazene derivatives. It has been shown that it is an alkylating agent, and thus this drug inhibits RNA and protein synthesis to a greater degree than DNA. Dacarbazine is used intravenously for Hodgkin’s disease, soft-tissue sarcoma, and metastatic melanoma. A synonym of this drug is diticene.

VerwendenDacarbazine is used as an antineoplastic for treatment of malignant melanoma and sarcomas.

Vor- und nachgelagerte Produkte

Anbieter100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A monocarboxylic acid amide that is 1H-imidazole-4-carboxamide which is substituted at position 5 by a 3,3-dimethyltriaz-1-en-1-yl group. It is used for the treatment of metastatic malignant melanoma, and in combination with other drugs or the treatment of Hodgkin's disease and soft-tissue sarcoma.

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