Pemetrexed - ≥99% , GAR transformylase inhibitor, CAS No.150399-23-8, GAR transformylase inhibitor

CAS: 150399-23-8 Cat. No.: P129841 Summenformel: C₂₀H₁₉N₅Na₂O₆ Molekulargewicht: 471.37 EG-Nummer: 604-733-2

GRADE & PURITY ≥99%

Synonyms

CAS-150399-23-8 | Pemetrexed Disodium is known as a Thymidylate synthase inhibitor. | PEMETREXED DISODIUM [USP MONOGRAPH] | AC-1326 | EX-A836 | s1135 | UNII-2PKU919BA9 | LY231514 disodium | HMS1791H16 | L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Ein Hemmstoff von TS, DHFR und GARFT.

Specifications

Synonyme

CAS-150399-23-8 | Pemetrexed Disodium is known as a Thymidylate synthase inhibitor. | PEMETREXED DISODIUM [USP MONOGRAPH] | AC-1326 | EX-A836 | s1135 | UNII-2PKU919BA9 | LY231514 disodium | HMS1791H16 | L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Antifolat-Wirkstoff. Folsäure-Analogon. Kompetitiver Inhibitor der Thymidylatsynthase, der Dihydrofolatreduktase und der Glycinamid-Ribonukleotid-Formyltransferase. Zeigt in vivo eine starke Aktivität gegen bösartige ZNS-Erkrankungen.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

INHIBITOR

Mechanismus der Wirkung

GAR transformylase inhibitor

Hinweis

Wenn möglich, sollten Sie die Lösungen noch am selben Tag zubereiten und verwenden. Wenn Sie jedoch Stammlösungen im Voraus herstellen müssen, empfehlen wir Ihnen, die Lösung als Aliquote in dicht verschlossenen Fläschchen bei -20 °C zu lagern. Im Allgemeinen sind diese bis zu einem Monat verwendbar. Vor der Verwendung und vor dem Öffnen des Fläschchens empfehlen wir, das Produkt mindestens 1 Stunde lang auf Raumtemperatur kommen zu lassen. Benötigen Sie weitere Ratschläge zur Löslichkeit, Verwendung und Handhabung? Besuchen Sie unsere Seite mit den häufig gestellten Fragen (FAQ) für weitere Informationen.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504773286

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773286

Kanonisches Lächeln

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate

InChIKey

NYDXNILOWQXUOF-GXKRWWSZSA-L

INCHI

1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1

Isomere SMILES

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Molekulargewicht

471.37

Reaxy-Rn

19326742

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19326742&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: Hippuric acids N-acyl-alpha amino acids Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic zwitterions Organopnictogen compounds Carbonyl compounds Primary amines Organic sodium salts Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Benzoic acid or derivatives - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Dicarboxylic acid or derivatives - Pyrrole - Vinylogous amide - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

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BGC-823 (3035 Activities)

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HL-60 (67320 Activities)

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OVCAR-3 (48710 Activities)

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SGC-7901 (2773 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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SMMC-7721 (5516 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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GES1 (603 Activities)

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L02 (4864 Activities)

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Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO Water 94 mg/mL Ethanol
• Molekulargewicht: 471.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 471.113 Da
• Monoisotopic Mass: 471.113 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 737.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 150399-23-8, the molecular formula is C20H19N5Na2O6, and the molecular weight is 471.37 g/mol. InChIKey NYDXNILOWQXUOF-GXKRWWSZSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.