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Plumbagin

Plumbagin structure

CAS No:
481-42-5
Formula:
C11H8O3
Chemical Name:
Plumbagin
Synonyms:
1,4-Naphthalenedione,5-hydroxy-2-methyl-;Plumbagin;1,4-Naphthoquinone,5-hydroxy-2-methyl-;5-Hydroxy-2-methyl-1,4-naphthalenedione;5-Hydroxy-2-methyl-1,4-naphthoquinone;2-Methyl-5-hydroxy-1,4-naphthoquinone;Plumbagine;Plumbagone;2-Methyljuglone;NSC 236613;NSC 688284;2-Methyl-5-hydroxy-1,4-naphthalenedione
Categories:
Chemical Reagents > Organic Reagents

Description

Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica L, exhibits anticancer and antiproliferative activities[1].

Plumbagin is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an immunological adjuvant, an anticoagulant and an antineoplastic agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone.

Plumbagin Basic Attributes

Molecular Weight：

188.18

Exact Mass：

188.18

EC Number：

207-569-6

UNII：

YAS4TBQ4OQ

NSC Number：

688284|236613

DSSTox ID：

DTXSID8075413

HScode：

2914690090

Characteristics

PSA：

54.4

XLogP3：

2.3

Appearance：

Orange Crystals or Crystalline Powder

Density：

1.380 g/cm³

Melting Point：

78.5 °C

Boiling Point：

70-90 °C

Flash Point：

200.2ºC

Refractive Index：

1.63

Storage Conditions：

−20°C

Vapor Pressure：

1.92E-06mmHg at 25°C

Toxicity：

LD50 i.p. in mice: ~0.015 g/kg (Debray)

Collision Cross Section：

124.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2923 8/PG 2

wgk germany：

hazard class code：

25-34-36/37/38

safety instructions：

22-26-36/37/39-45-37/39-28A

RTECS Number：

QL8500000

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H301-H314

Drug Information

MeSH：

Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)|Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)|Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)|Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)|Chemical substances that prevent or reduce the probability of CONCEPTION. (See all compounds classified as Contraceptive Agents.)|Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)

MeSH Entry Terms：

2-methyl-5-hydroxy-1,4-naphthoquinone

Plumbagin Use and Manufacturing

antibacterial, antifungal, tuberculostatic; antifeedant (worm)

Computed Properties

Molecular Weight:188.18
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:188.047344113
Monoisotopic Mass:188.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Ethyl acetate

Sodium bicarbonate

Acetic acid

Copper bromide (CuBr)

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