Folic acids

Description:

Heterocyclic compounds based on the 4-[(pteridin-6-ylmethyl)amino]benzoic acid skeleton conjugated with one or more L-glutamate units.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Pteridines and derivatives ⮕ Pterins and derivatives ⮕ Pteroic acids and derivatives ⮕ Folic acids and derivatives ⮕ Folic acids

7-hydroxy Methotrexate
- ≥98%
Cas Number: 5939-37-7 Compound CID: 5385077

Formula: C₂₀H₂₂N₈O₆・3Na Molecular Weight: 539.4

IUPAC Name: 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

SMILES: CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: HODZDDDNGRLGSI-UHFFFAOYSA-N

InChI: InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31show more
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Aminopterin
- 50 ×, lyophilized powder
Cas Number: 54-62-6 EC Number: 200-209-9

Formula: C₁₉H₂₀N₈O₅·xH₂O Molecular Weight: 440.41(as Anhydrous)

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N

InChI: InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,2show more
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Methotrexate hydrate
Cas Number: 133073-73-1 Compound CID: 165528

Formula: C₂₀H₂₂N₈O₅·xH₂O Molecular Weight: 454.44 (anhydrous basis)

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

InChIKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N

InChI: InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(Hshow more

Synonyms: Methylaminopterin hydrate | Antifolan hydrate | L-Amethopterin hydrate | L-4-Amino-N10-methylpteroylglutamic acid hyd...
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Methotrexate disodium salt
- 10mM in Water
Cas Number: 7413-34-5 EC Number: 231-022-0

Formula: C₂₀H₂₀N₈Na₂O₅ Molecular Weight: 498.4

IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChIKey: DASQOOZCTWOQPA-GXKRWWSZSA-L

InChI: InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(show more

Synonyms: Methotrexate disodium salt|7413-34-5|methotrexate disodium|METHOTREXATE SODIUM|Sodium methotrexate|Disodium methotrex...
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Methotrexate-methyl-d3
- ≥98 atom% D,≥98%
Cas Number: 432545-63-6

Formula: C₂₀H₁₉D₃N₈O₅ Molecular Weight: 457.46

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: FBOZXECLQNJBKD-FUPFOCIHSA-N

InChI: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,3show more

Synonyms: Amethopterin-d3 | MTX-d3 | (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl-d3)amino)benzoyl)-L-glutamic acid
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Aminopterin
- 10mM in DMSO
Cas Number: 54-62-6 EC Number: 200-209-9

Formula: C₁₉H₂₀N₈O₅·xH₂O Molecular Weight: 440.41(as Anhydrous)

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N

InChI: InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,2show more

Synonyms: aminopterin|4-Aminofolic acid|54-62-6|4-Amino-PGA|APGA|Aminopteridine|Aminotrexate|Aminopterine|4-Aminopteroylglutami...
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Methotrexate disodium salt
- ≥98%
Cas Number: 7413-34-5 EC Number: 231-022-0

Formula: C₂₀H₂₀N₈Na₂O₅ Molecular Weight: 498.4

IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChIKey: DASQOOZCTWOQPA-GXKRWWSZSA-L

InChI: InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(show more

Synonyms: Methotrexate, Sodium Salt | DTXCID1017123 | MS-20174 | Disodium methotrexate | DS-3425 | 3,6-Endomethylenephthalic an...
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Folic acid dihydrate
- ≥98%
Cas Number: 75708-92-8

Formula: C₁₉H₁₉N₇O₆•2H₂O Molecular Weight: 477.44

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.O.O

InChIKey: ODYNNYOEHBJUQP-LTCKWSDVSA-N

InChI: InChI=1S/C19H19N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,show more

Synonyms: DTXSID20273931 | MFCD00150769 | (2S)-2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pe...
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Aminopterin Hydrate
- ≥98%
Cas Number: 54-62-6 EC Number: 200-209-9

Formula: C₁₉H₂₀N₈O₅·xH₂O Molecular Weight: 440.41(as Anhydrous)

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N

InChI: InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,2show more

Synonyms: CAS-54-62-6 | Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)amino)benzoyl)-L(+)-glutamova | (2S)-2-[[4-[[(2,4-Diamin...
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Methotrexate hydrate
- ≥99%
Cas Number: 133073-73-1 Compound CID: 165528

Formula: C₂₀H₂₂N₈O₅·xH₂O Molecular Weight: 454.44 (anhydrous basis)

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

InChIKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N

InChI: InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(Hshow more

Synonyms: Methotrexate hydrate, Vetec(TM) reagent grade, 98% | Methotrexate hydrate(1:x) | Methotrexate xhydrate | METHOTREXATE...
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10-Formyl Folic Acid
- ≥95%
Cas Number: 134-05-4

Formula: C₂₀H₁₉N₇O₇ Molecular Weight: 469.41

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C=O

InChIKey: UGWUWNVTCLDEOG-ZDUSSCGKSA-N

InChI: InChI=1S/C20H19N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,7,9,13H,5-6,8H2,(H,24,show more

Synonyms: 10-Formylpteroylglutamic Acid | 10-Formyldihydropteroylglutamate | L-GLUTAMIC ACID, N-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO...
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