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Chemical structure of Nolatrexed (AG-337)

GC14681

Nolatrexed (AG-337)

Also known as 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;dihydrochloride

Nolatrexed (AG-337) (AG 337) is a non-competitive lipophilic inhibitor of thymidylate synthase, interacts at the folate cofactor binding site of the enzyme, with a Ki of 11 nM for human thymidylate synthase· Nolatrexed (AG-337) (AG 337) induces cell cycle arrest in S phase of cancer cells· Anti-cancer activity

ChemicalCAS152946-68-4MW357.26FormulaC14H14Cl2N4OS
CAS number
152946-68-4
Molecular weight
357.26
Formula
C14H14Cl2N4OS
Solubility
≥ 17·2mg/mL in DMSO
InChIKey
PJKVJJYMWOCLIJ-UHFFFAOYSA-N
Catalogue number
GC14681
Brand
GLPBIO
Computed properties PubChem CID 135409535 · TPSA 106 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
106 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

SMILES CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl.Cl

Computed descriptors from PubChem (CID 135409535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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