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77029-83-5

77029-83-5 Structure

77029-83-5 Structure
IdentificationBack Directory
[Name]

HYPOCRELLIN A
[CAS]

77029-83-5
[Synonyms]

HYPOCRELLIN
HYPOCRELLIN A
(1S,2R)-1-acetyl-2,5,12-trihydroxy-4,8,9,13-tetramethoxy-2-m...
(1S,2R)-1-acetyl-2,5,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-6,11-dione
1H-Cyclohepta[ghi]perylene-5,12-dione,1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-,stereoisomer
(11R,12S)-11-acetyl-3,9,12-trihydroxy-1,5,6,10-tetramethoxy-12-methyl-12,13-dihydro-2H-cyclohepta[ghi]perylene-2,8(11H)-dione
[Molecular Formula]

C30H26O10
[MDL Number]

MFCD00467740
[MOL File]

77029-83-5.mol
[Molecular Weight]

546.52
Chemical PropertiesBack Directory
[Melting point ]

209-210 °C
[Boiling point ]

922.8±65.0 °C(Predicted)
[density ]

1.55±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: 2mg/mL; DMSO: 3mg/mL; Ethanol: 0.3mg/mL
[form ]

A solid
[pka]

7.03±0.60(Predicted)
[color ]

Brown to red
[InChIKey]

URTOHKHBNYPGQJ-UHYDGBJBNA-N
[SMILES]

C12C3[C@@H](C(=O)C)[C@](O)(C)CC4=C(C(=O)C5=C(C=C(OC)C(C6C(OC)=CC(=O)C(=C(O)C=3OC)C1=6)=C5C=24)O)OC |&1:2,6,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

Hypocrellin A is an antimicrobial and antileishmanial activity. Ga(3+)-Hypocrellin interacts with myoglobin in vitro.
[in vivo]

Hypocrellin A (2.5 and 5 mg/kg; i.p.; once every two days for fourteen days) inhibits tumor growth in a non-small cell lung cancer xenograft model mouse model[8].

Animal Model:H460 cells were inoculated subcutaneously on the backs of BALB/c nude mice[8]
Dosage:2.5 and 5 mg/kg
Administration:i.p.; Inject once every two days for fourteen days
Result:Induced the expression of the pro-apoptotic protein BAX and inhibited the expression of the anti-apoptotic protein BCL-2 in NSCLC tumors.
[IC 50]

Leishmania
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

HYPOCRELLIN A(77029-83-5)1HNMR
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