Diaveridin

Diaveridine

HCID 21453

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Grundinformationen

CAS: 5355-16-8
Standard-SMILES: COc1ccc(Cc2cnc(N)nc2N)cc1OC
InChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-N
Summenformel: C13H16N4O2
Durchschnittliche Molmasse: 260,29 g/mol
Monoisotopische Masse: 260,12732575

Überblick

Diaveridine is an aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species. It has a role as an antiparasitic agent and a drug allergen.

Namen und Bezeichner

Bevorzugter Name: Diaveridine
IUPAC: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Lokaler Name: Diaveridin
Englischer Name: Diaveridine
Summenformel: C13H16N4O2
Molmasse: 260.29

Namen und Synonyme

DIAVERIDINE5355-16-8Diaveridin5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamineDiaveridina2,4-Diamino-5-veratrylpyrimidineDiaveridinumBW 49-2102,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidineNSC-4087355-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamineDTXSID2046200

Weitere Namen anzeigen

DVDDIVERDINEDifenacegis5645dijunjinAI3-23935CCRIS-3784

7KVX81XA87CHEBI:1231152,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-BW-49210BW-49-2102,4-Pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-DTXCID0026200RefChem:586320

Datenbank-Bezeichner

CAS: 5355-16-8
PubChem CID: 21453
DTXSID: DTXSID2046200
ChEMBL: CHEMBL19633
ChEBI: CHEBI:123115
UNII: 7KVX81XA87
EC Number: 226-333-3
Nikkaji: J9.549D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 96,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 279

Experimentelle und physikochemische Eigenschaften

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Physikochemische Eigenschaften

Schmelzpunkt: 233 ° · 233°
Siedepunkt: 506.1 · 506.1±60.0 °C(Predicted)
Dichte: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: DMSO (Slightly)
pka: 7.11 · 7.11±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Pale Yellow
Merck: 13 · 13,3017
BRN: 258464 · 258464
Major Application: forensics and toxicologypharmaceutical (small molecule)
InChI: InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(CC2=CC=C(OC)C(OC)=C2)C(N)=N1
CAS Datenbank: 5355 · 5355-16-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationDiaveridine: 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.

Other Safety InformationIMAP assessments - 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-: Environment tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 29335990
RTECS-Nr.: UV8142000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

ATC CodeQP - Antiparasitic products, insecticides and repellents

Verwendung und Herstellung

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Anwendungen

VerwendenDiaveridine is a dihydrofolate reductase inhibitor. It is used in veterinary medicine as a drug for its anticoccidial properties and its function as an antibacterial synergist.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter100 Anbieter

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.