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plevitrexed , CAS No.153537-73-6, Inhibitor of thymidylate synthetase

Item Number
P612868
Grouped product items
SKUSizeAvailabilityPrice Qty
P612868-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,062.90
P612868-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$7,216.90

Basic Description

Synonyms(S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-(1H-tetrazol-5-yl)-butyric acid | (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazo
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of thymidylate synthetase

Associated Targets(Human)

TYMS Tclin Thymidylate synthase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TYMS Tclin Thymidylate synthase (1651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L1210 (RD1694) (36 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

PubMed: [1] , [2] , [3] , [4]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

DailyMed: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

DailyMed: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

DailyMed: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

PubMed: [1] , [2]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

PubMed: [1] , [2] , [3]


Thymidylate synthase antagonistANTAGONISTALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

Other: [1]


PubMed: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

FDA: [1]


PubMed: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

EMA: [1]


Thymidylate synthase inhibitorINHIBITORALA1952Thymidylate synthaseSINGLE PROTEINHomo sapiens

FDA: [1]


Names and Identifiers

IUPAC Name (2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
INCHI InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
InChi Key IEJSCSAMMLUINT-NRFANRHFSA-N
Canonical SMILES CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C
Isomeric SMILES CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C
PubChem CID 135430970
Molecular Weight 532.53

Certificates

C of A & Other Certificates(BSE/TSE, COO)

Related Documents

References

1. Marsham PR, Wardleworth JM, Boyle FT, Hennequin LF, Kimbell R, Brown M, Jackman AL.  (1999)  Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors..  J Med Chem,  42  (19): (3809-20).  [PMID:10508430] [10.1021/op500134e]

Solution Calculators