U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N6O
Molecular Weight 192.178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIAMINO-6-HYDROXYMETHYLPTERIDINE

SMILES

NC1=NC(N)=C2N=C(CO)C=NC2=N1

InChI

InChIKey=CYNARAWTVHQHDI-UHFFFAOYSA-N
InChI=1S/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)

HIDE SMILES / InChI

Molecular Formula C7H8N6O
Molecular Weight 192.178
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds.
1999 Aug 26
Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii.
2001 Jul 19
Photohydrolysis of methotrexate produces pteridine, which induces poly-G-specific DNA damage through photoinduced electron transfer.
2002 Nov
Determination of the chiral and achiral related substances of methotrexate by cyclodextrin-modified micellar electrokinetic chromatography.
2004 Aug
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Plasmodium berghei: lack of antimalarial activity of an analogue of folate precursor, 2,4-diamino-6-hydroxymethylpteridine in a mouse model.
2008 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:57 GMT 2023
Record UNII
1RU16O4RO0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIAMINO-6-HYDROXYMETHYLPTERIDINE
Systematic Name English
6-PTERIDINEMETHANOL, 2,4-DIAMINO-
Systematic Name English
(2,4-DIAMINOPTERIDIN-6-YL)METHANOL
Systematic Name English
METHOTREXATE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10915479
Created by admin on Sat Dec 16 08:04:57 GMT 2023 , Edited by admin on Sat Dec 16 08:04:57 GMT 2023
PRIMARY
CAS
945-24-4
Created by admin on Sat Dec 16 08:04:57 GMT 2023 , Edited by admin on Sat Dec 16 08:04:57 GMT 2023
PRIMARY
FDA UNII
1RU16O4RO0
Created by admin on Sat Dec 16 08:04:57 GMT 2023 , Edited by admin on Sat Dec 16 08:04:57 GMT 2023
PRIMARY
PUBCHEM
70347
Created by admin on Sat Dec 16 08:04:57 GMT 2023 , Edited by admin on Sat Dec 16 08:04:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-412-2
Created by admin on Sat Dec 16 08:04:57 GMT 2023 , Edited by admin on Sat Dec 16 08:04:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP