Cotrimoxazole, Ready Made Solution - 100mg/mL in DMSO , CAS No.8064-90-2

CAS: 8064-90-2 Cat. No.: C466239 Molecular Weight: 1556.71 EC Number: 695-491-7

GRADE & PURITY 100mg/mL in DMSO

Synonyms

Gantrim | Trimforte | Cotrimoxazole | Cotrim | sulfamethoxazole + trimethoprim | sulfamethoxazole & trimethoprim | TMP-SMX | Sulfatrim-Ss | Trimethoprim-sulfamethoxazole | Trimethoprimsulfa | Trimosulfa | Sulfamethoxazole-trimethoprim | Septra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Cotrimoxazole has been used as an antimicrobial agent.

Specifications

Synonyms

Gantrim | Trimforte | Cotrimoxazole | Cotrim | sulfamethoxazole + trimethoprim | sulfamethoxazole & trimethoprim | TMP-SMX | Sulfatrim-Ss | Trimethoprim-sulfamethoxazole | Trimethoprimsulfa | Trimosulfa | Sulfamethoxazole-trimethoprim | Septra

Specifications & Purity

100mg/mL in DMSO

Biochemical and Physiological Mechanisms

Cotrimoxazole, a combination of trimethoprim and sulfamethoxazole, interferes with the cellular metabolism of folic acid in the bacterial cell by blocking the biosynthesis of nucleotides. Trimethoprim binds to dihydrofolate reductase (DHFR) which inhibit

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Keep container tightly closed in a dry and well-ventilated place.

Names and Identifiers

• Canonical Smiles: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
• IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
• InChIKey: WZRJTRPJURQBRM-UHFFFAOYSA-N
• INCHI: 1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)
• Isomeric SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
• Molecular Weight: 1556.71
• Reaxy-Rn: 5236098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5236098&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Isoxazoles Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Not available
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Organosulfonic acid amide - Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterobacteriaceae (669 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 543.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 543.19 Da
• Monoisotopic Mass: 543.19 Da
• Topological Polar Surface Area: 212.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 653.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Tong Shao, Xiaoshuang Wang, Rentian Guan, Suyuan Zeng, Rui Li, Min Hong, Qiaoli Yue.  (2023)  Carbonized polymer dots for the sensitive and selective analysis of chlortetracycline based on the aggregation induced emission.  NEW JOURNAL OF CHEMISTRY,  47  (37): (17293-17302).  [PMID:] [10.1039/D3NJ02474A]