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CH-1504

CAT: 0013-GTR19197910-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197910-02Size:50 mg
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Description
CH-1504 is a small molecule inhibitor of dihydrofolate reductase (DHFR) with potential therapeutic application in rheumatoid arthritis research. It is utilized in both in vitro enzymatic assays and in vivo disease models to investigate mechanisms of immune modulation and folate metabolism.
CAS Number
238074-89-0
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Smiles
NC=1C2=C (C=CC (CCC3=CC=C (C (NC (CC (C (O) =O) =C) C (O) =O) =O) C=C3) =C2) N=C (N) N1
Molecular Formula
C23H23N5O5
Molecular Weight
449.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Methylene-5,8,10-trideazaaminopterin

CH-1504 is a an antirheumatic agent that has been shown in vitro to be a nonpolyglutamylatable and nonhydroxylatable antifolate that is more efficiently taken up into cells by the reduced folate carrier (RFC) system than is Methotrexate. It has been investigated for the treatment of Rheumatoid Arthritis (phase II).

CAS Number238074-89-0
PubChem CID9846537
IUPAC Name2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
Molecular FormulaC23H23N5O5
Molecular Weight449.5
XLogP2.4
Topological Polar Surface Area182
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity739
SMILES
C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)O
InChI
InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)
InChIKey
NAWXUBYGYWOOIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Methylene-5,8,10-trideazaaminopterin
CAS: 238074-89-0
CID: 9846537
Formula: C23H23N5O5
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass449.16991885
Monoisotopic Mass449.16991885
Topological Polar Surface Area182 Ų
Heavy Atom Count33
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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