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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride structure, CAS 105637-50-1

1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride

CAS Number105637-50-1

Synonyms1H-1,4-Diazepine, 1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, hydrochloride (1:1); 1-[(5-Chloro-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1); 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane,hydrochloride; MFCD00065525

Molecular FormulaC15H18Cl2N2O2S

Molecular Weight324.83 (free base basis)

Purity≥98 (TLC)%

Density

Boiling Point508.8ºC at 760mmHg

Melting Point196-200ºC

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9000583 Purity: ≥98 (TLC)%
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Quality Control of [ 105637-50-1 ] Purity: ≥98 (TLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number105637-50-1
Catalog No.2A-9000583
Chinese NameML-9盐酸盐
Synonyms1H-1,4-Diazepine, 1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, hydrochloride (1:1); 1-[(5-Chloro-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1); 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane,hydrochloride; MFCD00065525
Molecular FormulaC15H18Cl2N2O2S
Molecular Weight324.83 (free base basis)
Purity≥98 (TLC)
Boiling Point508.8ºC at 760mmHg
Melting Point196-200ºC
Appearancesolid
Storage ConditionSealed and stored in a cool, dry warehouse. Refrig
ApplicationML-9 is a selective and potent inhibitor of Akt kinase, inhibiting the activity of myosin light chain kinase (MLCK) and matrix-interacting molecule 1 (STIM1). ML-9 inhibits MLCK, PKA and PKC activitie
HTC2933990090
MDL NumberMFCD00065525
SMILES[S](=O)(=O)(N3CCNCCC3)c1c2c(c(ccc2)Cl)ccc1.[Cl-].[H+]
InChI1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
InChI KeyZNRYCIVTNLZOGI-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/583_1_105637_50_1.pdf
BioactivityML-9 is a selective and potent inhibitor of Akt kinase, inhibits myosin light-chain kinase (MLCK) and stromal interaction molecule 1 (STIM1) activity[3]. ML-9 inhibits inhibits MLCK, PKA and PKC activity with Ki values of 4, 32 and 54 μM, respectively[1]. ML-9 induces autophagy by stimulating autophagosome formation and inhibiting their degradation[3]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Cytoskeleton >> Myosin In Vitro ML9 (0-100 μM; 0-24 hours) has no reduction in cardiomyocyte viability, 50-100 μM significantly induces cell death[2]. ML9 (50 μM; 1-4 hours) significantly increases cleaved caspase-3 levels, decreased STIM1 protein levels by about 42%[2]. Cell Viability Assay[1] Cell Line: Neonatal rat ventricular myocytes (NRVM) cells Concentration: 0, 10, 50 and 100 μM Incubation Time: 0, 1, 4, 8 and 24 hours Result: Decreased cell viability at 50-100 μM concentration. Apoptosis Analysis[1] Cell Line: Neonatal rat ventricular myocytes (NRVM) cells Concentration: 50 μM Incubation Time: 1, 4 and 8 hours Result: Induced cardiomyocyte death through necrosis and apoptosis. References [1]. Ito S, et al. ML-9, a myosin light chain kinase inhibitor, reduces intracellular Ca2+ concentration in guinea pig trachealis.Eur J Pharmacol. 2004 Feb 23;486(3):325-33. [2]. Shaikh S, et al. The STIM1 inhibitor ML9 disrupts basal autophagy in cardiomyocytes by decreasing lysosome content.Toxicol In Vitro. 2018 Apr;48:121-127. [3]. Kondratskyi A1, et al.Identification of ML-9 as a lysosomotropic agent targeting autophagy and cell death.Cell Death Dis. 2014 Apr 24;5:e1193. Chemical & Physical Properties Boiling Point 508.8ºC at 760mmHg Melting Point 196-200ºC Molecular Formula C15H18Cl2N2O2S Molecular Weight 361.287 Flash Point 261.5ºC Exact Mass 360.046600 PSA 57.79000 LogP 4.62670 Vapour Pressure 1.79E-10mmHg at 25°C InChIKey ZNRYCIVTNLZOGI-UHFFFAOYSA-N SMILES Cl.O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1
Use ofML-9 is a selective and potent inhibitor of Akt kinase, inhibits myosin light-chain kinase (MLCK) and stromal interaction molecule 1 (STIM1) activity[3]. ML-9 inhibits inhibits MLCK, PKA and PKC activity with Ki values of 4, 32 and 54 μM, respectively[1]. ML-9 induces autophagy by stimulating autophagosome formation and inhibiting their degradation[3]. Properties Articles31 Name 1-(5-Chloronaphthalenesulfonyl)-1H-hexahydro-1,4-diazepine, Hydrochloride Synonym More Synonyms ML-9 Biological Activity Description ML-9 is a selective and potent inhibitor of Akt kinase, inhibits myosin light-chain kinase (MLCK) and stromal interaction molecule 1 (STIM1) activity[3]. ML-9 inhibits inhibits MLCK, PKA and PKC activity with Ki values of 4, 32 and 54 μM, respectively[1]. ML-9 induces autophagy by stimulating autophagosome formation and inhibiting their degradation[3]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Cytoskeleton >> Myosin References [1]. Ito S, et al. ML-9, a myosin light chain kinase inhibitor, reduces intracellular Ca2+ concentration in guinea pig trachealis.Eur J Pharmacol. 2004 Feb 23;486(3):325-33. [2]. Shaikh S, et al. The STIM1 inhibitor ML9 disrupts basal autophagy in cardiomyocytes by decreasing lysosome content.Toxicol In Vitro. 2018 Apr;48:121-127. [3]. Kondratskyi A1, et al.Identification of ML-9 as a lysosomotropic agent targeting autophagy and cell death.Cell Death Dis. 2014 Apr 24;5:e1193. Chemical & Physical Properties Exact Mass 360.046600 PSA 57.79000 LogP 4.62670 InChIKey ZNRYCIVTNLZOGI-UHFFFAOYSA-N
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SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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