Erlotinib

HCID 176870CAS 183321-74-6

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Grundinformationen

Standard-SMILES: C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1
InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N
Summenformel: C22H23N3O4
Durchschnittliche Molmasse: 393,443 g/mol
Monoisotopische Masse: 393,16885622

Namen und Bezeichner

Bevorzugter Name: Erlotinib
IUPAC: N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Englischer Name: Erlotinib
Summenformel: C22H23N3O4
Molmasse: 393.44

Namen und Synonyme

ERLOTINIB HCLTarcevaErlortinibR 1415RotiniOSI 744ErlonatERLOTININERLOTINIBNSC-71878

Datenbank-Bezeichner

CAS: 183321-74-6
PubChem CID: 176870
DTXSID: DTXSID8046454
ChEMBL: CHEMBL553
ChEBI: CHEBI:114785
UNII: J4T82NDH7E
EC Number: 689-196-2
Nikkaji: J910.423B

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-160 °C
Siedepunkt: 553.6 · 553.6±50.0 °C(Predicted)
Dichte: 1.24 · 1.24
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 5.32 · 5.32±0.30(Predicted)
Farbe: White
InChI: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: N1=C2C(C=C(OCCOC)C(OCCOC)=C2)=C(NC2=CC=CC(C#C)=C2)N=C1
CAS Datenbank: 183321 · 183321-74-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: WGK 3
hs_code: 29335990
RTECS-Nr.: VA0971100
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 183321-74-6(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungErlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity (IC50 = 2.5 μM). This inhibits tumor growth in human head and neck carcinoma HN5 tumor xenografts in mice with an ED50 value of 9 mg/kg. Erlotinib also suppresses cyclin-dependent kinase 2 (Cdk2) activity in breast cancer cells (IC50 = 4.6 μM) and JAK2 mutant JAK2V617F positive hematopoietic progenitor cells (IC50 = 5 μM), which is associated with polycythemia vera, idiopathic myelofibrosis, and essential thrombocythemia. Formulations containing erlotinib have been used to treat certain forms of cancer, including non-small cell lung cancer.

VerwendenErlotinib HCl is an HER1/EGFR inhibitor with IC50 of 2 nM.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

6,7-DiMethoxyquinazoline Erlotinib IMpurity C Erlotinib 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline Erlotinib Impurity 20 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone 3-Ethinylanilin Erlotinib hydrochloride 2-Amino-4,5-bis(2-methoxyethoxy)benzonitrile 4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

LGM Pharma1-(800)-881-8210 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.