ChemicalBook--->CAS DataBase List--->109664-02-0

109664-02-0

109664-02-0 Structure

109664-02-0 Structure
IdentificationBack Directory
[Name]

Neocryptotanshinone
[CAS]

109664-02-0
[Synonyms]

Neocryptotanshinone
5,6,7,8-Tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-1,4-phenanthrenedione
1,4-Phenanthrenedione, 5,6,7,8-tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-
[Molecular Formula]

C19H22O4
[MDL Number]

MFCD32878228
[MOL File]

109664-02-0.mol
[Molecular Weight]

314.38
Chemical PropertiesBack Directory
[Boiling point ]

517.1±50.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

4.50±1.00(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20,22H,4-5,8-9H2,1-3H3/t10-/m0/s1
[InChIKey]

PKEGICXVZMKJPR-JTQLQIEISA-N
[SMILES]

C1(=O)C2=C(C3=C(C=C2)C(C)(C)CCC3)C(=O)C(O)=C1[C@@H](C)CO
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
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]

Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
[in vivo]

Neocryptotanshinone causes reversals of decreased pain thresholds induced by MSU treatment after 30, 60, and 120 min S. miltiorrhiza Bunge extract treatment (contains single active components)[3].

Animal Model:MSU-induced pain model in male ICR mice (weighing 20-25 g)[2]
Dosage:10, 25, 50 or 100 mg/kg
Administration:Oral gavage; for 30, 60, 120 min
Result:Inhibited inflammatory symptoms and nociceptive behaviors in a dose-dependent manner.
[IC 50]

iNOS
[storage]

4°C, protect from light
[References]

[1] Chuanhong Wu, et al. Neocryptotanshinone Inhibits Lipopolysaccharide-Induced Inflammation in RAW264.7 Macrophages by Suppression of NF-κB and iNOS Signaling Pathways. Acta Pharm Sin B. 2015 Jul;5(4):323-9. DOI:10.1016/j.apsb.2015.01.010
[2] H C Lin, et al. Two New Fatty Diterpenoids From Salvia Miltiorrhiza. J Nat Prod. 2001 May;64(5):648-50. DOI:10.1021/np000345v
[3] FENG Jinghui, et al. Effects of Salvia miltiorrhiza Bunge extract and its single components on monosodium urate-induced pain in vivo and lipopolysaccharide-induced inflammation in vitro. J Tradit Chin Med. 2021. 41(2): 219-226. PMID:33825401
Spectrum DetailBack Directory
[Spectrum Detail]

Neocryptotanshinone(109664-02-0)1HNMR
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