Dihydroergocristine mesylate

Modify Date: 2024-01-14 06:03:58

Dihydroergocristine mesylate Structure
Dihydroergocristine mesylate structure
Common Name Dihydroergocristine mesylate
CAS Number 24730-10-7 Molecular Weight 707.83600
Density N/A Boiling Point 899.3ºC at 760 mmHg
Molecular Formula C36H45N5O8S Melting Point N/A
MSDS N/A Flash Point 497.7ºC

 Use of Dihydroergocristine mesylate


Dihydroergocristine mesylate (DHEC mesylate) is a inhibitor of γ-secretase (GSI), reduces the production of the Alzheimer's disease amyloid-β peptides, binds directly to γ-secretase and Nicastrin with equilibrium dissociation constants (Kd) of 25.7 nM and 9.8 μM, respectively[1].

 Names

Name dihydroergocristine mesylate
Synonym More Synonyms

 Dihydroergocristine mesylate Biological Activity

Description Dihydroergocristine mesylate (DHEC mesylate) is a inhibitor of γ-secretase (GSI), reduces the production of the Alzheimer's disease amyloid-β peptides, binds directly to γ-secretase and Nicastrin with equilibrium dissociation constants (Kd) of 25.7 nM and 9.8 μM, respectively[1].
Related Catalog
In Vitro Dihydroergocristine (DHEC) (2-20 μM; 24 hours) has an IC50 value of 25 μM for inhibiting the activity of γ-secretase in T100 cells without affecting cell viability[1]. Dihydroergocristine (2-20 μM; 24 hours) inhibits cellular Aβ production and causes a dose-dependent accumulation of carboxy-terminal fragments of APP (APP-CTFs) in HEK293 and decreases γ-secretase activity in fibroblast cells[1]. Western Blot Analysis[1] Cell Line: WT HEK293 cells; Fibroblast cells Concentration: 2 μM, 5 μM, 10 μM, 20 μM Incubation Time: 24 hours Result: Increased APP-CTFs accumulation in a dose-dependent manner.
References

[1]. Lei X, et al. The FDA-approved natural product dihydroergocristine reduces the production of the Alzheimer's disease amyloid-β peptides. Sci Rep. 2015 Nov 16;5:16541.

 Chemical & Physical Properties

Boiling Point 899.3ºC at 760 mmHg
Molecular Formula C36H45N5O8S
Molecular Weight 707.83600
Flash Point 497.7ºC
Exact Mass 707.29900
PSA 180.96000
LogP 3.50660
Vapour Pressure 8.49E-35mmHg at 25°C
Storage condition Store at RT
Water Solubility H2O: 10 mg/mL

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE7600000
CHEMICAL NAME :
Ergotamane-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(pheny lmethyl)-, (5'-alpha,10-alpha)-, monomethanesulfonate (salt)
CAS REGISTRY NUMBER :
24730-10-7
LAST UPDATED :
199703
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C35-H41-N5-O5.C-H4-O3-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2643 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
585 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
91 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4176182
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>1250 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Gastrointestinal - nausea or vomiting
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>50 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Gastrointestinal - nausea or vomiting
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 42,1381,1992

 Safety Information

RIDADR UN 1544 6
WGK Germany 2
RTECS KE7600000
Packaging Group III
Hazard Class 6.1(b)

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 Synonyms

dihydroergocristine methanesulphonate
DIHYDROERGOCRYSTINE METHANESULFONATE SALT
dihydroergocristine methane sulfonate
DIHYDROERGOCRISTINE METHANESULFONATE ERG OT ALKALOID,VASOC
Dihydroergocristine mesilate
9,10-DihydroergocristineMethanesulfonate
EINECS 246-434-6
dihydroergocristine methanesulfonate salt
Dihydroergocristine mesylate,(5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-ergotaman-3',6',18-trionemesylate
PACAP 1-38
MFCD00153792
dihydroergocristinmesilat
DIHYDROERGOCRISTINE MESYLATE
dihydroergocristine