Pteridines and derivatives

Pterine-6-carboxylic acid

Grade & Purity:

≥98%

Cas Number: 948-60-7 EC Number: 213-435-8 Compound CID: 135403803

Formula: C₇H₅N₅O₃ Molecular Weight: 207.15

IUPAC Name: 2-amino-4-oxo-3H-pteridine-6-carboxylic acid

SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O

InChIKey: QABAUCFGPWONOG-UHFFFAOYSA-N

InChI: InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)

Synonyms: 6-Pteridinecarboxylic acid, 2-amino-1,4-dihydro-4-oxo- | HHS | 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzop...

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Methotrexate disodium salt

Grade & Purity:

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

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Methotrexate-methyl-d3

Grade & Purity:

≥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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Levomefolic Acid

Grade & Purity:

10mM in DMSO

Cas Number: 31690-09-2

Formula: C₂₀H₂₅N₇O₆ Molecular Weight: 459.47

IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

SMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: ZNOVTXRBGFNYRX-STQMWFEESA-N

InChI: InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24show more

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GS-9620

Grade & Purity:

2mM in DMSO

Cas Number: 1228585-88-3

Formula: C₂₂H₃₀N₆O₂ Molecular Weight: 410.51

IUPAC Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

SMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)N

InChIKey: VFOKSTCIRGDTBR-UHFFFAOYSA-N

InChI: InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,show more

Synonyms: Vesatolimod|1228585-88-3|GS-9620|4-Amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-one|G...

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Folinic acid calcium salt hydrate

Grade & Purity:

10mM in Water

Cas Number: 1492-18-8

Formula: C₂₀H₂₁CaN₇O₇ · xH₂O Molecular Weight: 511.50 (anhydrous basis)

IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

SMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

InChI: InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,show more

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Folinic acid

Grade & Purity:

10mM in Water

Cas Number: 6035-45-6

Formula: C₂₀H₂₁CaN₇O₇.5H₂O Molecular Weight: 601.59

IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate

SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]

InChIKey: NPPBLUASYYNAIG-ZIGBGYJWSA-L

InChI: InChI=1S/C20H23N7O7.Ca.5H2O/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;;;;;;/h1-4,9,12-13,show more

Synonyms: CALCII FOLINAS [WHO-IP LATIN] | 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, (+)-, (Z)-2-b...

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Calcium Levofolinate

Grade & Purity:

≥99%

Cas Number: 80433-71-2

Formula: C₂₀H₂₁N₇O₇.Ca Molecular Weight: 511.5

IUPAC Name: calcium;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]

InChIKey: KVUAALJSMIVURS-QNTKWALQSA-L

InChI: InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,show more

Synonyms: Calcium levofolinate (INN) | MFCD08704249 | L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-p...

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Calcium Levofolinate

Grade & Purity:

10mM in Water

Cas Number: 80433-71-2

Formula: C₂₀H₂₁N₇O₇.Ca Molecular Weight: 511.5

IUPAC Name: calcium;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]

InChIKey: KVUAALJSMIVURS-QNTKWALQSA-L

InChI: InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,show more

Synonyms: Calcium levofolinate (INN) | MFCD08704249 | L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-p...

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BI-D1870

Grade & Purity:

Moligand™

≥98%

Cas Number: 501437-28-1

Formula: C₁₉H₂₃F₂N₅O₂ Molecular Weight: 391.42

IUPAC Name: 2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one

SMILES: CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C

InChIKey: DTEKTGDVSARYDS-UHFFFAOYSA-N

InChI: InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)

Synonyms: AS-16192 | 2-Ethyl-2-phenyl-butyric acid 2-(2-diethylamino-ethoxy)-ethyl ester; compound with 3-carboxy-3-hydroxy-pe...

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Aminopterin

Grade & Purity:

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

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Alloxazine

Grade & Purity:

Moligand™

≥95%

Cas Number: 490-59-5 EC Number: 207-714-3

Formula: C₁₀H₆N₄O₂ Molecular Weight: 214.18

IUPAC Name: 1H-benzo[g]pteridine-2,4-dione

SMILES: C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O

InChIKey: HAUGRYOERYOXHX-UHFFFAOYSA-N

InChI: InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)

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Pteridines and derivatives

Description:

Ancestors: