Products for Research Use Only
RegisterLogin

CH-1504

CAT: 0931-T27002-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T27002-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
238074-89-0
Target
Antifolate, Others, DHFR
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Metabolism
Bioactivity
CH-1504, dihydrofolate reductase (DHFR) inhibitor, is used potentially for the treatment of rheumatoid arthritis.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T30860CH 150
T30861-01CH 200
TP2045-01CH 275
T30863CH 402
T30867CH-4933468
TP1012-01CH 5450
T14945-01CH-0793076
T30865CH-0076989
T30858-01CH 102
T30859-01CH 141

Alternative Products

CatalogName
MBS5776725CH-1504
286764MINIPIC 1503/1504 AC Signs
HY-163235Phenyl phenylcarbamate-CH-5-methoxypicolinamide-CH-CH-Ph-CF3
B6927-25Ch 55
HY-122894Ch-319
FC137662-01CH-223191
ZGA68878-01CH 275
MBS3846397-01CH 5450
TRC-C291805-10MGCH 223191
MBS5780491-01CH-100

Popular Products