ETOPRINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12Cl2N4
Molecular Weight	283.156
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C(C(N)=NC(N)=N1)C2=CC(Cl)=C(Cl)C=C2

InChI

InChIKey=PXLPCZJACKUXGP-UHFFFAOYSA-N

InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C12H12Cl2N4
Molecular Weight	283.156
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/7559148 | https://www.ncbi.nlm.nih.gov/pubmed/274177 | https://www.genome.jp/dbget-bin/www_bget?dr:D04108

Etoprine, a diaminopyrimidine, is a lipid-soluble inhibitor of dihydrofolate reductase. Etoprine inhibits incorporation of deoxyuridine into the DNA. In male rodents, it affected spermatogenesis and induces infertility. Etoprine is considered to exert antineoplastic activity.

CNS Activity

Approval Year

PubMed

Title	Date	PubMed
Identification of highly potent and selective inhibitors of Toxoplasma gondii dihydrofolate reductase.	1993 Sep	8239605
The contraceptive effects of etoprine on male mice and rats.	1995 Mar-Apr	7559148

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:02:15 GMT 2023` Edited by `admin` on `Fri Dec 15 15:02:15 GMT 2023`
Record UNII	406PGU9KGI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETOPRINE

Official Name

English

NSC-3062

Code

English

ETOPRINE [USAN]

Common Name

English

2,4-PYRIMIDINEDIAMINE, 5-(3,4-DICHLOROPHENYL)-6-ETHYL-

Systematic Name

English

2,4-Diamino-5-(3,4-dichlorophenyl)-6-ethylpyrimidine

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2153