Dota (HCID 121841)｜Huagongshe

Überblick

DOTA is an azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. It has a role as a copper chelator and a chelator. It derives from a hydride of a 1,4,7,10-tetraazacyclododecane.

Namen und Bezeichner

Bevorzugter Name: Dota
IUPAC: 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Englischer Name: DOTA
Summenformel: C16H28N4O8
Molmasse: 404.42

Namen und Synonyme

DOTATetraxetan60239-18-11,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acidDota acid2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid1,4,7,10-Dota2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acidDOT-A1HTE449DGZNSC-681107

Weitere Namen anzeigen

TETRAAZA1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakisacetic acid2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid98% DOTADOTADOTANSC 681107

CHEBI:61028DTXSID602089842,2',2'',2'''-(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRYL)TETRAACETIC ACID2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl)acetic acidRefChem:188911DTXCID101314751,4,7,10-Tetraazacyclododecane--N,N',N'',N'''-tetraacetic acidMFCD00068657

Datenbank-Bezeichner

CAS: 60239-18-1
PubChem CID: 121841
DTXSID: DTXSID60208984
ChEMBL: CHEMBL1721515
ChEBI: CHEBI:61028
UNII: 1HTE449DGZ
EC Number: 611-959-5
Nikkaji: J351.294K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -10,6
Polarare Oberfläche (TPSA): 162 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 8
Schwere Atome: 28
Formalladung: 0
Komplexität: 447

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Chelating Agents

Drugs · 2 Einträge

Pharmaceuticals

Pharmaceuticals -> Listed in ZINC15

Physical DescriptionLight yellow hygroscopic powder; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 267 °C · 267 °C
Siedepunkt: 701.6 · 701.6±60.0 °C(Predicted)
Dichte: 1.321 · 1.321
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Water (Slightly, Heated), Methanol (Slightly)
pka: 2.16 · 2.16±0.10(Predicted)
Aggregatzustand: Powder
Farbe: white
BRN: 1186987 · 1186987
Stabilität: Hygroscopic
InChI: InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKey: WDLRUFUQRNWCPK-UHFFFAOYSA-N
SMILES: N1(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 29-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21563

Hazards SummaryAn irritant; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)

Sicherheitsdaten

F: 3-10-34
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Verwendung und Herstellung

UsesUse (kg; approx.) in Germany (2009): >1000

Anwendungen

VerwendenBifunctional DOTA aconjugates to peptides and has become an established strategy for constructing target-specific metal containing agents including targeted MRI contrast agents and diagnostic and ther apeutic radiopharmaceuticals.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Iodoacetic acid potassium salt 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1-methyl-1-phenylethyl) ester Sodium bromoacetate Tri-tert-butyl 1 4 7 10-tetraazacyclodod 2-Phenylpropan-2-ol Cyclen Natriumiodacetat Bromessigsäure Iodessigsäure Natriumchloracetat Ethyl-bromacetat Methylbromacetat

Nachgelagerte Produkte

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

山东龙辰药业有限公司15964061209 15964061209 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

衢州信诺医药科技有限公司0570-3856196 13615701454 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group.

Zugehörige Reaktionen

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