TETROXOPRIM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22N4O4
Molecular Weight	334.3703
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCOC1=C(OC)C=C(CC2=C(N)N=C(N)N=C2)C=C1OC

InChI

InChIKey=WSWJIZXMAUYHOE-UHFFFAOYSA-N

InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C16H22N4O4
Molecular Weight	334.3703
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/43863 | https://www.ncbi.nlm.nih.gov/pubmed/3043259 | https://www.ncbi.nlm.nih.gov/pubmed/395147

Tetroxoprim is an inhibitor of bacterial dihydrofolate reductase. In combination with sulfadiazine (co-tetroxazine) it has been used for the treatment of susceptible bacterial infections.

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Dihydrofolate reductase 57 Target ID: P0ABQ4 Gene ID: 944790.0 Gene Symbol: folA Target Organism: Escherichia coli (strain K12) Sources: https://www.ncbi.nlm.nih.gov/pubmed/43863	Inhibitor 8297		3.2 nM [Ki]

PubMed

Title	Date	PubMed
New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii.	1995 Nov 24	7490723
Structural relationships, thermal properties, and physicochemical characterization of anhydrous and solvated crystalline forms of tetroxoprim.	2002 Feb	11835206
Order-disorder enantiotropy, monotropy, and isostructurality in a tetroxoprim-sulfametrole 1:1 molecular complex: Crystallographic and thermal studies.	2003 Nov	14603502

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:23 UTC 2023` Edited by `admin` on `Fri Dec 15 15:47:23 UTC 2023`
Record UNII	5R6712AY0K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETROXOPRIM

Official Name

English

tetroxoprim [INN]

Common Name

English

TETROXOPRIM [MART.]

Common Name

English

Tetroxoprim [WHO-DD]

Common Name

English

2,4-Diamino-5-[3,5-dimethoxy-4-(2-methoxyethoxy)benzyl]pyrimidine

Systematic Name

English

TETROXOPRIM [USAN]

Common Name

English

TETROXOPRIM [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2153