 Home > Encyclopedia > 5-deazamethotrexate

5-deazamethotrexate

5-deazamethotrexate structure

CAS No:
80360-10-7
Formula:
C21H23N7O5
Chemical Name:
5-deazamethotrexate
Synonyms:
5-deazamethotrexate;CHEMBL262953;NSC344280;SCHEMBL10820237;DTXSID50319371;BDBM50016322;NSC-344280;L-Glutamic acid,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]-;2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
Categories:
Dyes and Pigments > Pigment

Request for Quotation

5-deazamethotrexate Basic Attributes

Molecular Weight：

453.45122

Exact Mass：

453.176

NSC Number：

344280

DSSTox ID：

DTXSID50319371

Characteristics

PSA：

198

XLogP3：

0.5

Drug Information

MeSH：

Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)

MeSH Entry Terms：

5-deazamethotrexate

Computed Properties

Molecular Weight:453.5
XLogP3:0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:453.17606686
Monoisotopic Mass:453.17606686
Topological Polar Surface Area:198
Heavy Atom Count:33
Complexity:703
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes