Vitamin K1 - ≥98%, sum of Cis-trans , CAS No.84-80-0

CAS: 84-80-0 Cat. No.: V104147 Formula: C₃₁H₄₆O₂ Molecular Weight: 450.70 Beilstein Registry Number: 2568820 EC Number: 201-564-2

GRADE & PURITY ≥98%, sum of Cis-trans

Synonyms

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione | Orakay | vitamin K1, 11 | 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))- | BIDD:GT0793 | DTXCID003472 | MFCD00214063 | SCHEMB

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Vitamin K1, also known as phylloquinone, consists of naphthalenoid and phytyl groups. Phylloquinone is present abundantly in photosynthetic plants and is a major dietary source. It is a fat-soluble vitamin.

Vitamin K{1} is an important dietary source found in green plants, algae and photosynthetic bacteria. It is used as a vitamin (prothrombogenic) and veterinary antidote for dicoumarol poisoning. It is an essential vitamin for the synthesis of coagulation factors II, VII, IX, and X in the liver.

Specifications

Synonyms

[r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione | Orakay | vitamin K1, 11 | 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))- | BIDD:GT0793 | DTXCID003472 | MFCD00214063 | SCHEMB

Specifications & Purity

≥98%, sum of Cis-trans

Biochemical and Physiological Mechanisms

Vitamin K1 plays a role as a cofactor in the synthesis of γ- carboxy glutamate (Gla), formation of coagulation factors II (prothrombin), VII, IX and X.

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195294
• Canonical Smiles: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
• IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
• InChIKey: MBWXNTAXLNYFJB-NKFFZRIASA-N
• INCHI: 1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
• Isomeric SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
• WGK Germany: 2
• RTECS: QJ5800000
• Alternate CAS: 12001-79-5
• Molecular Weight: 450.70
• Beilstein: 2568820
• Reaxy-Rn: 2568816

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin K compounds
• Alternative Parents: Diterpenoids Naphthoquinones Quinones Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diterpenoid - Naphthoquinone - Naphthalene - Aryl ketone - Quinone - Benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as vitamin k compounds. These are quinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position.
• External Descriptors: Vitamin K

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

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F2 Tclin Thrombin (11687 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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NR1I2 Tchem Pregnane X receptor (6667 Activities)

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Homo sapiens (32628 Activities)

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Raji (5516 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with dehydrated alcohol, acetone, petroleum ether, hexane, dioxane, chloroform, ether, benzene and vegetable oils. Immiscible with water.
• Sensitivity: Light sensitive.Heat and Moisture Sensitive
• x_refractive_index: 1.5263
• x_flash_point_drop_fahrenheit: >235.4 °F
• x_flash_point_drop_centigrade: >109.9 °C
• x_boil_point_char: 140-145 °C/0.0013 hPa
• x_melt_point_char: -20 °C
• Molecular Weight: 450.700 g/mol
• XLogP3: 10.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 450.35 Da
• Monoisotopic Mass: 450.35 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 696.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1