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CAS 528-74-5

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Dichloromethotrexate

Description:
Dichloromethotrexate, with the CAS number 528-74-5, is a derivative of methotrexate, a well-known antimetabolite and chemotherapeutic agent. This compound is characterized by the presence of two chlorine atoms substituted on the methotrexate structure, which enhances its potency and alters its pharmacokinetic properties. It exhibits a high affinity for the enzyme dihydrofolate reductase, inhibiting folate metabolism and subsequently interfering with DNA synthesis, making it effective in cancer treatment. Dichloromethotrexate is typically administered in a clinical setting for its therapeutic effects against various malignancies, particularly in cases where conventional methotrexate is less effective. The compound is also notable for its solubility in polar solvents, which facilitates its formulation for intravenous administration. However, like many chemotherapeutic agents, it can have significant side effects, including myelosuppression and gastrointestinal toxicity, necessitating careful monitoring during treatment. Overall, dichloromethotrexate represents a critical tool in oncological pharmacotherapy, with its unique chemical modifications contributing to its efficacy.
Formula:C20H20Cl2N8O5
InChI:InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1
InChI key:InChIKey=MCEHFIXEKNKSRW-LBPRGKRZSA-N
SMILES:NC=1C2=C(N=CC(CN(C)C3=C(Cl)C=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3Cl)=N2)N=C(N)N1
Synonyms:
  • Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
  • 3′,5′-Dichloroamethopterin
  • N-(3,5-Dichloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid
  • N-[(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
  • Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-
  • N-(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
  • N-(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid
  • L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
  • N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- L-Glutamic acid
  • N-[3,5-Dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
  • L-glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
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