BGC > Product Search > Raltitrexed | 112887-68-0

Molecular Formula: C21H22N4O6S
Molecular Weight: 458.49
Hazard Symbols: Xi,T
UN Number: UN 2811 6.1 / PGIII
WGKGermany: 2

Description:
Raltitrexed is a thymidylate synthase inhibitor with an IC50 of 9 nM for the inhibition of L1210 cell growth. Raltitrexed is used as an antimetabolite drug used in the treatment of colorectal cancer, and may be beneficial for malignant mesothelioma treatment.

• Molecular Weight:458.49
• Melting Point:176-180°C (dec.)
• Purity:> 98%

Molecular Formula:
C21H22N4O6S
Canonical SMILES:
CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O
InChI:
InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
InChIKey:
IVTVGDXNLFLDRM-HNNXBMFYSA-N
Appearance:
Yellow Solid
Application:
the treatment of colorectal cancer
Synonyms:
Tomudex; ZD1694; ZD-1694; ICI-D1694; (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid

Purity: 98%
Smile code: O=C(O)[C@@H](NC(C1=CC=C(N(C)CC2=CC3=C(N=C(C)NC3=O)C=C2)S1)=O)CCC(O)=O
MDL Number: MFCD00864168
MolFormula: C21H22N4O6S
MolWeight: 458.4876
Available in stock: 22.738

Smile code:
O=C(O)[C@@H](NC(C1=CC=C(N(C)CC2=CC3=C(N=C(C)NC3=O)C=C2)S1)=O)CCC(O)=O
MDL Number:
MFCD00864168
Purity :
98%
Available in stock:
30.706 g