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Phenprocoumon - ≥97%, high purity , Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor, CAS No.435-97-2, Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor

COA

Grade & Purity:

Moligand™

≥97%

Cas Number: 435-97-2
Molecular Weight: 280.32
EC Number: 207-108-9}
PubChem CID: 54680692
PubChem SID: 504771357

In stock

Item Number

P346952

Grouped product items
SKU	Size	Availability	Price
P346952-5mg	5mg	3	$35.90
P346952-10mg	10mg	2	$58.90
P346952-25mg	25mg	1	$132.90
P346952-50mg	50mg	1	$157.90
P346952-100mg	100mg	1	$284.90

View related series

vitamin K epoxide reductase complex subunit 1 Inhibitor (5)

Basic Description

Synonyms	4-hydroxy-3-(1-phenylpropyl)chromen-2-one \| BRN 1291115 \| EINECS 207-108-9 \| Marcoumar \| 3-[2-[(2,3,4,5,6-2H5)Phenyl]propyl]-4-hydroxy-2H-1-benzopyran-2-one \| 3-(alpha-Ethylbenzyl)-4-hydroxycoumarin \| DB00946 \| Phenprocoumon (Marcumar) \| Phenylpropylhydro
Specifications & Purity	Moligand™, ≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives
    - Subclass Hydroxycoumarins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Hydroxycoumarins
Intermediate Tree Nodes	Not available
Direct Parent	4-hydroxycoumarins
Alternative Parents	1-benzopyrans Phenylpropanes Pyranones and derivatives Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4-hydroxycoumarin - Benzopyran - 1-benzopyran - Phenylpropane - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors	hydroxycoumarin
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)

VKORC1 Tclin Vitamin K epoxide reductase complex subunit 1 (0 Activities)

Discover Target: VKORC1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	504771357
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771357
IUPAC Name	4-hydroxy-3-(1-phenylpropyl)chromen-2-one
INCHI	InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
InChIKey	DQDAYGNAKTZFIW-UHFFFAOYSA-N
Smiles	CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Isomeric SMILES	CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
RTECS	GN6769000
PubChem CID	54680692
UN Number	2811
Packing Group	III
Molecular Weight	280.32

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
F2310417	Certificate of Analysis	May 08, 2023	P346952
F2310421	Certificate of Analysis	May 08, 2023	P346952
F2310419	Certificate of Analysis	May 08, 2023	P346952
F2310420	Certificate of Analysis	May 08, 2023	P346952
F2310422	Certificate of Analysis	May 08, 2023	P346952
F2310427	Certificate of Analysis	May 08, 2023	P346952
F2310437	Certificate of Analysis	May 08, 2023	P346952
F2310424	Certificate of Analysis	May 08, 2023	P346952
F2310428	Certificate of Analysis	May 08, 2023	P346952
F2310425	Certificate of Analysis	May 08, 2023	P346952

Chemical and Physical Properties

Solubility	Soluble in methanol, and chloroform.DMSO : ≥ 125 mg/mL (445.92 mM)
Refractive Index	n20D1.64 (Predicted)
Boil Point(°C)	~419.5° C at 760 mmHg (Predicted)
Melt Point(°C)	173-176° C
Molecular Weight	280.300 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	280.11 Da
Monoisotopic Mass	280.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	420.000
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	1

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