Warfarin Sodium (contains Isopropyl Alcohol) - ≥98%(HPLC) , Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor, CAS No.129-06-6, Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor

CAS: 129-06-6 Cat. No.: W162982 Molecular Weight: 330.31 EC Number: 204-929-4 PubChem CID: 16204922

GRADE & PURITY ≥98%(HPLC)

Synonyms

D01AA01 | disodium pentacyano(nitroso)irondiuide dihydrate | WARFARIN SODIUM [MART.] | Warfarin, sodium deriv. | WARFARINUM NATRICUM [WHO-IP LATIN] | CHEBI:10034 | DL-warfarin sodium | EPA Pesticide Chemical Code 086003 | sodium 2-oxidanylidene-3-(3-oxida

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Building Blocks, Chemical Synthesis, Coumarins, Heterocyclic Building Blocks

Specifications

Synonyms

D01AA01 | disodium pentacyano(nitroso)irondiuide dihydrate | WARFARIN SODIUM [MART.] | Warfarin, sodium deriv. | WARFARINUM NATRICUM [WHO-IP LATIN] | CHEBI:10034 | DL-warfarin sodium | EPA Pesticide Chemical Code 086003 | sodium 2-oxidanylidene-3-(3-oxida

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Vitamin K epoxide reductase inhibitor. Synthetic coumarin derivative. Shows anticoagulant effects in vivo. Orally active.

Storage

Argon charged, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Mechanism of action

Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488199069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199069
• Canonical Smiles: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
• IUPAC Name: sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
• InChIKey: KYITYFHKDODNCQ-UHFFFAOYSA-M
• INCHI: 1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1
• Isomeric SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
• PubChem CID: 16204922
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 330.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ketone - Lactone - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Organic sodium salt - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

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

Klebsiella pneumoniae (43867 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely soluble; Very soluble in Alcohol; Slightly soluble in Chloroform,Ether
• Sensitivity: Air Sensitive
• Molecular Weight: 330.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 330.087 Da
• Monoisotopic Mass: 330.087 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 507.000
• 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

References

1. Li Jiale, Li Haoyang, Pei Shizeng, Kang Na, Zhang Guomei, Zhang Caihong, Shuang Shaomin.  (2022)  Sensitive Detection of Sulfur Dioxide by Constructing a Protein Supramolecular Complex: a New Fluorescence Sensing Strategy.  Food Analytical Methods,  16  (1): (55-62).  [PMID:] [10.1007/s12161-022-02365-5]

2. Yunchang Fan, Dongxu Cai, Xin Wang, Lei Yang.  (2018)  Ionic Liquids: Efficient Media for the Lipase-Catalyzed Michael Addition.  MOLECULES,  23  (9): (2154).  [PMID:30150588] [10.3390/molecules23092154]

3. Dai Xiaochan, Yang Xi, Feng Yifan, Wu Xinyuan, Ju Yahan, Zou Rong, Yuan Fei.  (2025)  The role of vitamin K and its antagonist in the process of ferroptosis-damaged RPE-mediated CNV.  Cell Death & Disease,  16  (1): (1-15).  [PMID:40108164] [10.1038/s41419-025-07497-0]

4. Lin Xi, Hu Shiyun, Li Yanxia, Yu Lishuang, Huang Lu.  (2025)  Enantioseparation by cLC-UV using chiral packed capillary columns with photonic crystal fibers as frits.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40715534] [10.1007/s00216-025-06020-w]