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Substance Name: Fluoresceinated methotrexate
RN: 83953-11-1
InChIKey: SDPLEBKAVNIULA-HKBQPEDESA-N

Note

  • Inhibits tetrahydrofolate dehydrogenase; fluorescent dihydrofolate reductase probe for studies of methotrexate resistance.

Molecular Weight

  • 842.89
 
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Names and Synonyms

Results Name

  • Fluoresceinated methotrexate

Name of Substance

  • PT 430

Synonyms

  • F-MTX
  • Fluoresceinated methotrexate
  • N(alpha)-(4-Amino-4-deoxy-N(10)-methylpteroyl-N(epsilon)-4'-fluoresceinthiocarbamoyl)-L-lysine trihydrate
  • PT-430

Systematic Name

  • L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N6-(((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)-

Registry Numbers

CAS Registry Number

  • 83953-11-1

System Generated Number

  • 0083953111

Structure Descriptors

InChI

1S/C42H38N10O8S/c1-52(20-23-19-46-36-34(47-23)35(43)50-40(44)51-36)24-8-5-21(6-9-24)37(55)49-31(38(56)57)4-2-3-15-45-41(61)48-22-7-12-28-27(16-22)39(58)60-42(28)29-13-10-25(53)17-32(29)59-33-18-26(54)11-14-30(33)42/h5-14,16-19,31,53-54H,2-4,15,20H2,1H3,(H,49,55)(H,56,57)(H2,45,48,61)(H4,43,44,46,50,51)/t31-/m0/s1

InChIKey

SDPLEBKAVNIULA-HKBQPEDESA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N)N)=O)CCCCNC(=S)Nc1cc2C(OC3(c2cc1)c1ccc(cc1Oc1cc(ccc31)O)O)=O)(=O)O