Raltitrexed
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Grundinformationen
- CAS
112887-68-0- Standard-SMILES
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1- InChIKey
IVTVGDXNLFLDRM-HNNXBMFYSA-N- Summenformel
- C21H22N4O6S
- Durchschnittliche Molmasse
- 458,496 g/mol
- Monoisotopische Masse
- 458,12600542
Namen und Bezeichner
- Bevorzugter Name
- Raltitrexed
- IUPAC
- N-(5-{Methyl[(2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}thiophene-2-carbonyl)-L-glutamic acid
- Englischer Name
- Raltitrexed
- Summenformel
- C21H22N4O6S
- Molmasse
- 458.49
Namen und Synonyme
TomudexRaltirexedTDXD1694CS-664ZD-1694RetitroseICI-D-1694ZEN-D-1694Raltitrexe
Datenbank-Bezeichner
- CAS
112887-68-0- PubChem CID
- 135400182
- DTXSID
DTXSID0046482- ChEMBL
CHEMBL225071- ChEBI
CHEBI:5847- UNII
- FCB9EGG971
- EC Number
- 652-997-2、935-981-2
- Nikkaji
- J409.820J
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 176 · 176-1800C
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: ≥10mg/mL
- pka
- 3.5 · 3.50±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- off-white to light yellow
- Wasserlöslichkeit
- 2 O: · H2O: ≥10mg/mLDMSO: ≥40mg/mL
- InChIKey
- IVTVGDXNLFLDRM-HNNXBMFYSA-N
- SMILES
- C(O)(=O)[C@H](CCC(O)=O)NC(C1SC(N(CC2C=CC3=C(C=2)C(=O)NC(C)=N3)C)=CC=1)=O |&1:3,r|
- CAS Datenbank
- 112887 · 112887-68-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2934.99.4700
- risk_code
- 36/38-25-61
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45-53
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 OralRepr. 1B
Chemie und Industrie
Anwendungen
BeschreibungTomudex was launched in Ireland, France, Luxembourg and the UK for advanced colorectal cancer and it was prepared in a convergent manner (6 steps) from diethyl L-glutamate and 6-bromomethyi-2-methyl-quinazolin4(3H)-one. Tomudex is a highly selective inhibitor of thymidylate synthase (TS), the key enzyme in the biochemical conversion of dUMP to dTMP. It enters the cell via the reduced folatefmethotrexate cell membrane carrier and is converted to the polyglutamate species by folylpolyglutamate synthase within 4h where it then binds to the folate substrate site of TS. Clinically, it had a 29% response rate in patients with advanced colorectal cancer. It is water soluble, can be administered as a single dose every three weeks and had no hepto- or nephrotoxicity.
VerwendenFolate-based inhibitor of thymidylate synthase; rapidly and extensively metabolized to its more potent polyglutamate derivatives. Antineoplastic
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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]
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江苏普润生物医药有限公司025-85607381 15366090669 · [email protected]
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