ChemicalBook--->CAS DataBase List--->3877-86-9

3877-86-9

3877-86-9 Structure

3877-86-9 Structure
IdentificationBack Directory
[Name]

CUCURBITACIN D
[CAS]

3877-86-9
[Synonyms]

Cucurbit D
elatericinea
ELATERICIN A
CUCURBITACIN D
cucurbitacine(d)
20,25-tetrahydroxy-ph
CUCURBITACIN D WITH HPLC
(10α,23E)-2β,16α,20,25-Tetrahydroxy-9β-methyl-19-norlanosta-5,23-diene-3,11,22-trione
(9β,10α,23E)-2β,16α,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2β,9β,10α,16α,23E)-
17-[(3E)-1,5-Dihydroxy-1,5-dimethyl-2-oxohex-3-en-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethylestr-5-ene-3,11-dione
[Molecular Formula]

C30H44O7
[MDL Number]

MFCD01711333
[MOL File]

3877-86-9.mol
[Molecular Weight]

516.67
Chemical PropertiesBack Directory
[Melting point ]

151.5°C
[Boiling point ]

521.47°C (rough estimate)
[density ]

1.0814 (rough estimate)
[refractive index ]

1.5820 (estimate)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in ethanol and methan
[form ]

powder
[pka]

12.66±0.29(Predicted)
[color ]

White
[InChIKey]

SRPHMISUTWFFKJ-VZBBWSTBNA-N
[SMILES]

[C@@]12(C)C[C@@H](O)[C@]([H])([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C[C@@H](C(=O)C(C)(C)C3=CCC21)O |&1:0,3,5,7,18,23,25,28,r|
[LogP]

1.480 (est)
[CAS DataBase Reference]

3877-86-9
Safety DataBack Directory
[Hazard Codes ]

Xi
[HS Code ]

29144000
[Toxicity]

LD50 oral in rat: 8200ug/kg
Hazard InformationBack Directory
[Uses]

Cucurbitacin D acts as a potential potent anti-cancer agent in various cervical cancers through induction of apopotosis.
[Definition]

ChEBI: A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23.
[in vivo]

Cucurbitacin D (1 mg/kg, intratumoral injection, three times a week for four weeks) inhibits tumor proliferation in mice[3].

Animal Model:Xenograft cervical cancer cell model in nude mice[3]
Dosage:1 mg/kg; three times a week; four weeks
Administration:Intratumoral injection
Result:Reduced tumor volume and weight, and the expression of pAKT and pSTAT3 proteins was significantly reduced.
[IC 50]

HSP90
[storage]

4°C, protect from light
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