Trimethoprim lactate salt - ≥98% , CAS No.23256-42-0

CAS: 23256-42-0 Cat. No.: T168839 Peso molecular: 380.4 Número EC: 245-533-1 PubChem CID: 3084396

GRADE & PURITY ≥98%

Synonyms

SCHEMBL950634 | FT-0630496 | 2-oxidanylpropanoic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | J-015057 | MLS000069832 | 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate | Lactic acid, compound with 5-(3,4,5-trimetho

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL950634 | FT-0630496 | 2-oxidanylpropanoic acid; 5-[(3, 4, 5-trimethoxyphenyl)methyl]pyrimidine-2, 4-diamine | J-015057 | MLS000069832 | 5-(3, 4, 5-Trimethoxybenzyl)pyrimidine-2, 4-diamine 2-hydroxypropanoate | Lactic acid, compound with 5-(3, 4, 5-trimetho

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762431
• Sonrisas canónicas: CC(C(=O)O)O.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
• IUPAC Name: 2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
• InChIKey: IIZVTUWSIKTFKO-UHFFFAOYSA-N
• INCHI: 1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)
• Isómeros SMILES: CC(C(=O)O)O.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
• PubChem CID: 3084396
• Peso molecular: 380.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 380.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 380.17 Da
• Monoisotopic Mass: 380.17 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Kun Wang, Sihong Yue, Tianxiang Li, Yu Tong, Jingyuan Tian, Yali Chen, Ziyong Kang, Feng Yang, Hongqiang Wang.  (2025)  Synergistic In Situ Hydrolysis Polymerization for Efficient Air-Fabricated Inorganic Perovskite Solar Cells.  SusMat,      [PMID:] [10.1002/sus2.70032]