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Nolatrexed

CAT: 0804-HY-13714-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13714-01Size:1 mg
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Description
Nolatrexed (AG 337 free base) is a compound with antifolate activity, high oral bioavailability, and major toxicity at inhibitory doses is gastrointestinal reactions. It can be safely taken orally at specific doses for inhibition, with effects on platelets and neutrophils.
CAS Number
147149-76-6
Product Name Alternative
AG 337 (free base)
UNSPSC
12352005
Hazard Statement
H341-H361
Target
Antifolate
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/nolatrexed.html
Smiles
O=C1N=C(NC2=CC=C(C)C(SC3=CC=NC=C3)=C12)N
Molecular Formula
C14H12N4OS
Molecular Weight
284.34
Precautions
P280-P405-P501
References & Citations
[1]Phase I studies with the nonclassical antifolate nolatrexed dihydrochloride (AG337, THYMITAQ) administered orally for 5 days
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Nolatrexed

Nolatrexed is under investigation in clinical trial NCT00012324 (Nolatrexed Dihydrochloride Compared With Doxorubicin in Treating Patients With Recurrent or Unresectable Liver Cancer).

CAS Number147149-76-6
PubChem CID135400184
IUPAC Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
Molecular FormulaC14H12N4OS
Molecular Weight284.34
XLogP1.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity408
SMILES
CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3
InChI
InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)
InChIKey
XHWRWCSCBDLOLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nolatrexed
CAS: 147149-76-6
CID: 135400184
Formula: C14H12N4OS
MW: 284.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.34
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass284.07318219
Monoisotopic Mass284.07318219
Topological Polar Surface Area106 Ų
Heavy Atom Count20
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19169021-01Nolatrexed
018433-01Nolatrexed Dihydrochloride
206596Nolatrexed HCl
B5892-10Nolatrexed (AG-337)

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