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Trequinsin structure, CAS 78416-81-6

Trequinsin

CAS Number78416-81-6

Synonymstrequinsine; HL 725 HCL; TREQUINSIN HYDROCHLORIDE MINIMUM; TREQUINSIN HYDROCHLORIDE; Trequinsin,HCl; HL 725

Molecular FormulaC24H28ClN3O3

Molecular Weight405.49 (free base basis)

Purity≥98 (HPLC)%

Density

Boiling Point613.8ºC at 760 mmHg

Melting Point

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9012806 Purity: ≥98 (HPLC)%
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Quality Control of [ 78416-81-6 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number78416-81-6
Catalog No.2A-9012806
Chinese Name盐酸曲林菌素
Synonymstrequinsine; HL 725 HCL; TREQUINSIN HYDROCHLORIDE MINIMUM; TREQUINSIN HYDROCHLORIDE; Trequinsin,HCl; HL 725
Molecular FormulaC24H28ClN3O3
Molecular Weight405.49 (free base basis)
Purity≥98 (HPLC)
Boiling Point613.8ºC at 760 mmHg
Appearancesolid
Storage ConditionStore in a sealed container in a cool, dry place.
ApplicationTrequinsin hydrochloride (HL 725) is a highly potent inhibitor of platelet CAMP phosphodiesterase (PDE) with an IC50 of 0.25 nM. Trequinsin hydrochloride (HL 725) is a highly potent inhibitor of plate
MDL NumberMFCD01076563
SMILESCl.[n]21c(c[c]([n]([c]2=O)C)=Nc4c(cc(cc4C)C)C)c3c(cc(c(c3)OC)OC)CC1
InChI1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4;/h9-13H,7-8H2,1-6H3;1H
InChI KeyDTCZZBVPTHVXFA-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/12806_1_78416_81_6.pdf
BioactivityTrequinsin hydrochloride (HL 725) is an extremely potent inhibitor of platelet CAMP phosphodiesterase (PDE), with an IC50 of 0.25 nM. Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of the aggregation of human platelets induced in vitro by ADP, collagen, thrombin and epinephrine[1][2][3]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Research Areas >> Metabolic Disease In Vitro Trequinsin hydrochloride exerts besides its cardiovascular and antihypertensive qualities very potent antiplatelet activities[1]. Trequinsin hydrochloride is an efficacious agonist of [Ca2+]i[3]. Cell Viability Assay[3] Cell Line: Samples from healthy volunteer research donors with normal sperm motility parameters in agreement with World Health Organization 2010 criteria. Concentration: 10 μM. Incubation Time: 20 min. Result: Caused a concentrationdependent increase in [Ca2+]i (EC50 = 6.4 μM [95% confidence interval (CI): 4.1-9.9 μM]). References [1]. D Ruppert,, et al. HL 725, an extremely potent inhibitor of platelet phosphodiesterase and induced platelet aggregation in vitro. Life Sci. 1982 Nov 8;31(19):2037-43. [2]. K C Agarwal, et al. Role of plasma adenosine in the antiplatelet action of HL 725, a potent inhibitor of cAMP phosphodiesterase: species differences. Thromb Res. 1987 Jul 15;47(2):191-200. [3]. Rachel C McBrinn, et al. Novel pharmacological actions of trequinsin hydrochloride improve human sperm cell motility and function. Br J Pharmacol. 2019 Dec;176(23):4521-4536. Chemical & Physical Properties Boiling Point 613.8ºC at 760 mmHg Molecular Formula C24H28ClN3O3 Molecular Weight 441.95000 Flash Point 325ºC Exact Mass 441.18200 PSA 57.75000 LogP 4.38670 InChIKey DTCZZBVPTHVXFA-UHFFFAOYSA-N SMILES COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2.Cl
Use ofTrequinsin hydrochloride (HL 725) is an extremely potent inhibitor of platelet CAMP phosphodiesterase (PDE), with an IC50 of 0.25 nM. Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of the aggregation of human platelets induced in vitro by ADP, collagen, thrombin and epinephrine[1][2][3]. Properties Articles28 Name Trequinsin hydrochloride,2,3,6,7-Tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-4H-pyrimido[6,1-a]isoquinolin-4-onehydrochloride Synonym More Synonyms Trequinsin hydrochloride Biological Activity Description Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of platelet CAMP phosphodiesterase (PDE), with an IC50 of 0.25 nM. Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of the aggregation of human platelets induced in vitro by ADP, collagen, thrombin and epinephrine[1][2][3]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Research Areas >> Metabolic Disease References [1]. D Ruppert,, et al. HL 725, an extremely potent inhibitor of platelet phosphodiesterase and induced platelet aggregation in vitro. Life Sci. 1982 Nov 8;31(19):2037-43. [2]. K C Agarwal, et al. Role of plasma adenosine in the antiplatelet action of HL 725, a potent inhibitor of cAMP phosphodiesterase: species differences. Thromb Res. 1987 Jul 15;47(2):191-200. [3]. Rachel C McBrinn, et al. Novel pharmacological actions of trequinsin hydrochloride improve human sperm cell motility and function. Br J Pharmacol. 2019 Dec;176(23):4521-4536. Chemical & Physical Properties Exact Mass 441.18200 PSA 57.75000 LogP 4.38670 InChIKey DTCZZBVPTHVXFA-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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