 Home > Encyclopedia > Bergapten

Bergapten

Bergapten structure

CAS No:
484-20-8
Formula:
C12H8O4
Chemical Name:
Bergapten
Synonyms:
7H-Furo[3,2-g][1]benzopyran-7-one,4-methoxy-;4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one;Bergaptan;Bergapten;Bergaptene;Majudin;5-Methoxypsoralen;Heraclin;5-MOP;5-Methoxy-6,7-furanocoumarin;Psoraderm;Geralen;NSC 95437;8-Demethoxyisoimpinellin;4-Methoxy-7H-furo[3,2-g]chromen-7-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Bergapten is a natural anti-inflammatory and anti-tumor agent isolated from bergamot essential oil, other citrus essential oils and grapefruit juice. Bergapten is inhibitory towards mouse and human CYP isoforms.

Bergapten Basic Attributes

Molecular Weight：

216.19

Exact Mass：

216.19

EC Number：

207-604-5

HScode：

2932999099

Characteristics

PSA：

48.7

XLogP3：

2.3

Appearance：

Grayish-white microcrystalline powder or yellow fluffy solid. (NTP, 1992)

Density：

1.4±0.1 g/cm3

Melting Point：

188 °C

Boiling Point：

412.4°C at 760 mmHg

Flash Point：

203.2±28.7 °C

Refractive Index：

1.635

Water Solubility：

PRACTICALLY INSOL IN BOILING WATER; SLIGHTLY SOL IN GLACIAL ACETIC ACID, CHLOROFORM, BENZENE, WARM PHENOL; SOL IN ABSOLUTE ALCOHOL: 1 PART IN 60

Storage Conditions：

2-8°C

Vapor Pressure：

7.5X10-7 mm Hg at 25 °C (est)

Safety Information

Transport codes：

UN 1759

wgk germany：

hazard class code：

43-45

safety instructions：

36/37-45-53

RTECS Number：

LV1300000

Marks：

Xi,T

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents. May be light sensitive.

Precautionary statement(s)：

P201-P261-P308 + P313

Hazard Statements：

H334-H340-H350

Bergapten Use and Manufacturing

Methods of Manufacturing

Screening scale biotransformation of IMP was carried out in 250-mL Erlenmeyer flasks containing 100 mL of liquid medium. The flasks were placed on a rotary shaker operating at 180 rpm and 27 °C. The substrates were dissolved in acetone to reach a final concentration of 10 mg/mL. After 36 h of pre-culture, 2 mg of IMP were added into each flask. The incubation was allowed to continue for 5 days. Culture controls consisted of fermentation blanks with microorganisms grown under identical non-substrate conditions. Substrate controls were composed of sterile medium with substrate, and they were incubated without microorganisms. (0009) Preparative scale biotransformation of IMP by P. janthinellum AS 3.510 was carried out in a 1-L Erlenmeyer flask. The substrate (10 mg) dissolved in acetone (0.5 mL) was added to pre-cultured medium (400 mL) and was incubated for an additional 5 days. In total, 800 mg of substrate were used for the preparative scale biotransformation. Other procedures were similar to the screening scale biotransformation.The preferred photoactive compounds for use in accordance with the present invention include the following' psoralen; 8-methoxypsoralen; 4, 5'8-trimethylpsoralen; The preferred photoactive compounds for use in accordance with the present invention include the following: psoralen; 8-methoxypsoralen; 4, 5'8-trimethylpsoralen;

Uses

Has been used to promote tanning in suntan preparations.

Computed Properties

Molecular Weight:216.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:216.04225873
Monoisotopic Mass:216.04225873
Topological Polar Surface Area:48.7
Heavy Atom Count:16
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Triethylamine

Sodium hydroxide

Ethyl acetate

Sodium bicarbonate

Sulfuric acid, sodium salt

Potassium carbonate

Formic acid

Dimethylformamide

tert-Butanol

Zinc chloride

Hydrochloric acid

Ammonia

Sulfuric acid

Potassium iodide

Dimethyl sulfate

Sodium sulfate

Recommended Suppliers of Bergapten

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Bergapten

CAS No.: 484-20-8

Content: 99.00%

Inquiry
Hangzhou Dawn Ray Pharmaceutical Co.,Ltd Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of D-Biotin,Tobramycin base,L(-)-Carnitine base,Polymyxin B sulfate USP,Kanamycin sulfate monohydrate,Finasteride 99% USP

Bergapten

CAS No.: 484-20-8

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

Bergapten 99% white powder kanbei

CAS No.: 484-20-8

Grade: Industrial Grade

Content: 99%

Inquiry