Raltitrexed CAS: 112887-68-0
MF: C21H22N4O6S
MW: 458.49
An inhibitor of thymidylate synthase and DHFR.

Raltitrexed (CAS 112887-68-0)

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Application: Raltitrexed is an inhibitor of thymidylate synthase and DHFR
CAS Number: 112887-68-0
Purity: ≥99%
Molecular Weight: 458.49
Molecular Formula: C21H22N4O6S
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
* Refer to Certificate of Analysis for lot specific data (including water content).
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Raltitrexed is a folate-based inhibitor of thymidylate synthase (TS) that is rapidly and extensively metabolized to its more potent polyglutamate derivatives. Raltitrexed is an inhibitor of DHFR.


References

1. Jodrell, D I., et al., 1991. The pharmacokinetics of the quinazoline antifolate ICI D 1694 in mice and rats. Cancer chemotherapy and pharmacology. 28(5): 331-8. PMID: 1914075
2. Jackman, A L., et al., . ZD1694 (Tomudex): a new thymidylate synthase inhibitor with activity in colorectal cancer. European journal of cancer (Oxford, England : 1990). 31A(7-8): 1277-82. PMID: 7577036

Appearance :
Crystalline powder
Physical State :
Solid
Solubility :
Soluble in water (<1 mg/ml at 25° C), DMSO (92 mg/ml at 25° C), methanol (warmed), and ethanol (<1 mg/ml at 25° C).
Storage :
Store at -20° C
Melting Point :
174-179° C
Density :
~1.5 g/cm3 (Predicted)
Refractive Index :
n20D 1.69 (Predicted)
IC50 :
TS: IC50 = 290 nM (human); Dihydrofolate reductase: IC50 = 480 nM (Toxoplasma gondii); Thymidylate synthase: IC50 = 900 nM (rat); Thymidylate synthase: IC50 = 5.3 µM (Escherichia coli); Thymidylate synthase: IC50 = 8 µM (Lactobacillus casei)
Ki Data :
Thymidylate synthase: Ki= 418 nM (mouse)
pK Values :
pKa: 3.5 (Predicted), pKb: 2.55 (Predicted)
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
PubChem CID :
Merck Index :
14: 8099
MDL Number :
MFCD00864168
SMILES :
CC1=NC(=O)C2=CC(C=CC2=N1)CN(C)C3=CC=C(S3)C(=O)N[[email protected]@H](CCC(=O)O)C(=O)O

Download SDS (MSDS)

Certificate of Analysis

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What is the appearance of the compound?

Asked by: two2igm05
Thank you for your question. Raltitrexed, sc-219933, is in white or light yellow powder form.
Answered by: Chemical Support 4
Date published: 2017-06-30
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