Picloram - for plant cell culture, ≥98%(HPLC) , CAS No.1918-02-1

CAS: 1918-02-1 Cat. No.: P118490 Formula: C₆H₃Cl₃N₂O₂ Molecular Weight: 241.46 Beilstein Registry Number: 479075 EC Number: 217-636-1

GRADE & PURITY Suitable for plant cell culture, ≥98%(HPLC)

Synonyms

WOM | 4-Amino-3,6-trichloro-2-picolinic acid | 4-Amino-3,6-trichlorpicolinsaeure | STK179674 | Picloram [ANSI:BSI:ISO] | PICLORAM [MI] | 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- | 3,6-Trichloro-4-aminopicolinic acid | Tordon 22K | 4-Amino-3,5,6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

WOM | 4-Amino-3,6-trichloro-2-picolinic acid | 4-Amino-3,6-trichlorpicolinsaeure | STK179674 | Picloram [ANSI:BSI:ISO] | PICLORAM [MI] | 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- | 3,6-Trichloro-4-aminopicolinic acid | Tordon 22K | 4-Amino-3,5,6

Specifications & Purity

for plant cell culture, ≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Grade

Suitable for plant cell culture

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504752723

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752723

Canonical Smiles

C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N

IUPAC Name

4-amino-3,5,6-trichloropyridine-2-carboxylic acid

InChIKey

NQQVFXUMIDALNH-UHFFFAOYSA-N

INCHI

1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)

Isomeric SMILES

C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N

WGK Germany

2

RTECS

TJ7525000

Molecular Weight

241.46

Beilstein

479075

Reaxy-Rn

479075

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=479075&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aminopyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Pyridine herbicides

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 200°C
• Molecular Weight: 241.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 239.926 Da
• Monoisotopic Mass: 239.926 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 216.000
• 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: 1