DL-Amethopterin

Base Information

• Chemical Name: DL-Amethopterin
• CAS No.: 51865-79-3
• Deprecated CAS: 184883-35-0
• Molecular Formula: C₂₀H₂₂N₈O₅
• Molecular Weight: 454.445
• Hs Code.: 29335995
• European Community (EC) Number: 262-213-7
• NSC Number: 757113,117356
• UNII: 99ITO15X8S
• DSSTox Substance ID: DTXSID40859034
• Wikidata: Q27165469
• ChEMBL ID: CHEMBL426
• Mol file: 51865-79-3.mol

Synonyms:60388-53-6;DL-Amethopterin;(+/-)Amethopterin;DL-Methotrexate;(+)-Amethopterin;METHOTREXATE(+/-);TCMDC-123832;6-Mtx (DL);(+-)-Methotrexate;Amethopterin (R,S);EINECS 262-213-7;Methotrexate, (+/-)-;Methotrexate;2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid;MLS002701970;99ITO15X8S;D(-)-AMETHOPTERIN;2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;NSC-117356;NSC-757113;C20H22N8O5;N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid;N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid;NSC 117356;DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-;Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-;C19H23N9O4;Emtexate;2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid;Methotrexate (hydrate);SR-05000001673;NSC117356;4-Amino-N10-methylpteroylglutamic acid;GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-;Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-;N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-DL-glutamic acid;Prestwick_753;Folex (Salt/Mix);DL-MTX;Prestwick0_000373;Prestwick1_000373;Prestwick2_000373;Prestwick3_000135;Prestwick3_000373;CHEMBL426;Methotrexate, (DL)-Isomer;SCHEMBL3712;UNII-99ITO15X8S;BSPBio_000210;BSPBio_000525;BSPBio_001993;Amethopterin;ChEMBL_59579;(+/-)-METHOTREXATE;SPECTRUM1500398;SPBio_002446;Amethopterin (hydrate);CL14377 (hydrate);WR19039 (hydrate);BPBio1_000232;BPBio1_000579;Methotrexate pound>>Amethopterin;SCHEMBL11986730;SCHEMBL20369096;CHEBI:93775;DTXSID40859034;Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-;HMS1569K07;HMS1920L21;HMS2091D16;HMS2096K07;HMS3267F07;HMS3371G08;HMS3403O03;HMS3654M22;HMS3713K07;HMS3869E13;Pharmakon1600-01500398;BCP02078;BCP29918;BDBM50004545;NSC757113;AKOS000281496;AKOS024282621;AB02593;CCG-212689;NCGC00015079-03;NCGC00015079-04;NCGC00015079-07;NCGC00095284-01;NCGC00095284-02;AC-11680;LS-71811;NCI60_041622;SMR001565548;SBI-0053664.P003;Kyselina 4-amino-N10-methylpteroylglutamova;FT-0601523;FT-0630651;M1664;EN300-296152;SR-05000001673-1;SR-05000001673-2;BRD-A55424491-001-07-4;BRD-A55424491-001-08-2;Q27165469;(MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid;2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioicacid;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(MTX);N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)GLUTAMIC ACID;N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid, (L)-;N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid;N-(p-((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid, (L)-;(methotrexate)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid;(Methotrexate, MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid;2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (Methotrexate);2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (MTX);2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid bis-adamantan-1-ylamide;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Amethopterin);2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate (MTX));2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate );2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(methotrexate(MTX));2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate);2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate, MXT);4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(methotrexate, MTX);Methotrexate2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid

Chemical Property of DL-Amethopterin

Chemical Property:

• Melting Point: 195 °C
• Refractive Index: 1.6910 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 3.47±0.10(Predicted)
• Flash Point: °C
• PSA: 210.54000
• Density: 1.536g/cm³
• LogP: 1.82170
• Storage Temp.: -20°C
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 454.17131583
• Heavy Atom Count: 33
• Complexity: 704

Purity/Quality:

97% ^*data from raw suppliers

(R)-Methotrexate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 61-46-25-36/37/38-60-23/24/25
• Safety Statements: 53-45-28A-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Recent ClinicalTrials: Study of the Efficacy and Safety of BCD-089 in Combination With Methotrexate in Patients With Active Rheumatoid Arthritis

Technology Process of DL-Amethopterin

There total 1 articles about DL-Amethopterin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methotrexate (60388-53-6) → (+)-amethopterin (59-05-2,51865-79-3,60388-53-6) + (-)-amethopterin

Guidance literature:

With cyclosophoraoses; capillary electrophoresis;

DOI:10.1016/S0008-6215(03)00083-1

upstream raw materials:

methotrexate