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1-((5-IODONAPHTHALEN-1-YL)SULFONYL)-1,4-DIAZEPANE HYDROCHLORIDE

Name: 1-((5-IODONAPHTHALEN-1-YL)SULFONYL)-1,4-DIAZEPANE HYDROCHLORIDE
Brand: 2A Biotech
SKU: 2A-1103791

CAS Number110448-33-4

Synonyms1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride; ML-7 HYDROCHLORIDE; 1H-1,4-Diazepine, hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-, hydrochloride (1:1); MFCD00065524; 1-[(5-Iodo-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1); ML-7 (hydrochloride)

Molecular FormulaC15H18ClIN2O2S

Molecular Weight452.74

Purity≥98 (TLC)%

Boiling Point542.7ºC at 760 mmHg

Melting Point246-249ºC dec.

Appearancepowder

EINECS0

MSDSChinese English

Cat. No.: 2A-1103791 Purity: ≥98 (TLC)%

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Quality Control of [ 110448-33-4 ] Purity: ≥98 (TLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number	110448-33-4
Catalog No.	2A-1103791
Chinese Name	ML-7盐酸盐
Synonyms	1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride; ML-7 HYDROCHLORIDE; 1H-1,4-Diazepine, hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-, hydrochloride (1:1); MFCD00065524; 1-[(5-Iodo-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1); ML-7 (hydrochloride)
Molecular Formula	C15H18ClIN2O2S
Molecular Weight	452.74
Purity	≥98 (TLC)
Boiling Point	542.7ºC at 760 mmHg
Melting Point	246-249ºC dec.
Appearance	powder
Storage Condition	Store airtight in a cool, dry warehouse. Refrigera
Application	ML-7 hydrochloride is a naphthalenesulfonamide derivative that potently inhibits MLCK (IC50=300 nM) and TRPC6 channels (IC50>10 μM).
EINECS	0
HTC	0
UN(IATA)	0
PubChem ID	24278490
MDL Number	MFCD00065524
SMILES	Cl.Ic1cccc2c(cccc12)S(=O)(=O)N3CCCNCC3
InChI	1S/C15H17IN2O2S.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 Key	KDDALCDYHZIZMH-UHFFFAOYSA-N
NACRES Code	NA.77
UNSPSC	12352200
MSDS	msds/103791_1_110448_33_4.pdf
Bioactivity	ML-7 hydrochloride is a naphthalene sulphonamide derivative, potently inhibits MLCK (IC50=300 nM) and TRPC6 channel (IC50>10 μM). Related Catalog Signaling Pathways >> Cytoskeleton >> Myosin Research Areas >> Cancer Target IC50: 300 nM (MLCK)[1] In Vitro ML-7 hydrochloride inhibits rabbit portal vein α1-adrenoceptor NSCC with IC50 of 0.8 μM[1]. The myosin light chain kinase (MLCK) inhibitor ML-7 hydrochloride (3 μ M and 10 μM) also attenuates the Dexmedetomidine (DMT)-induced contraction (p<0.05 versus control)[2]. In Vivo In sham operated animals Evans Blue extravasation is not different between ML-7 hydrochloride and vehicle group (sham+vehicle: 0.26±0.02 OD/g; sham+ML-7: 0.26±0.02 OD/g). After CCI inhibition of MLCK with ML-7 results in a significant lower amount of intracerebral Evans Blue compared to vehicle treated animals (CCI+vehicle: 0.42±0.04 OD/g; CCI+ML-7: 0.35±0.05 OD/g, p=0.048)[3]. Animal Admin Mice[3] Mice are treated with intraperitoneal injection of the selective MLCK inhibitor ML-7 (1 mg/kg) or vehicle solution (0.9% NaCl,control group) 1 h prior to and 6 h after trauma. Hemispheric brain water content and neurological function are measured 24 h after controlled cortical impact (CCI) in animals randomized to: (i) vehicle+sham surgery, (ii) vehicle+CCI, (iii) ML-7+shamsurgery or (iv) ML-7+CCI (n=8 per group) and 15 min after CCI in animals randomized to: (i) vehicle+sham surgery, (ii) vehicle+CCI, (iii) ML-7+sham surgery or (iv) ML-7+CCI (n=6 per group). Mice are treated with intraperitoneal injection of the selective MLCK inhibitor ML-7 (1 mg/kg) or vehicle solution (0.9% NaCl, control group) 1 h prior to and 6 h after trauma. Evans Blue extravasation is determined 24 h after surgery in animals randomized to: (i) vehicle + CCI or (ii) ML-7+CCI (n=5 per group) and in animals randomized to (iii) vehicle + sham surgery or (iv) ML-7+sham surgery (n=6 per group). ICP is measured 24 h CCI and sham surgery. References [1]. Shi J, et al. Myosin light chain kinase-independent inhibition by ML-9 of murine TRPC6 channels expressed in HEK293cells. Br J Pharmacol. 2007 Sep;152(1):122-31. [2]. Yu J, et al. Dexmedetomidine-Induced Contraction in the Isolated Endothelium-Denuded Rat Aorta Involves PKC-δ-mediated JNK Phosphorylation. Int J Med Sci. 2015 Sep 4;12(9):727-36. [3]. Luh C, et al. Inhibition of myosin light chain kinase reduces brain edema formation after traumatic brain injury. J Neurochem. 2010 Feb;112(4):1015-25. Chemical & Physical Properties Boiling Point 542.7ºC at 760 mmHg Melting Point 246-249ºC dec. Molecular Formula C15H18ClIN2O2S Molecular Weight 452.738 Flash Point 282ºC Exact Mass 451.982208 PSA 57.79000 LogP 4.57790 InChIKey KDDALCDYHZIZMH-UHFFFAOYSA-N SMILES Cl.O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1 Storage condition -20℃
Use of	Properties Name 1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride Synonym More Synonyms ML-7 hydrochloride Biological Activity Related Catalog Signaling Pathways >> Cytoskeleton >> Myosin Research Areas >> Cancer IC50: 300 nM (MLCK)[1] In Vitro ML-7 hydrochloride inhibits rabbit portal vein α1-adrenoceptor NSCC with IC50 of 0.8 μM[1]. The myosin light chain kinase (MLCK) inhibitor ML-7 hydrochloride (3 μ M and 10 μM) also attenuates the Dexmedetomidine (DMT)-induced contraction (p<0.05 versus control)[2]. References [2]. Yu J, et al. Dexmedetomidine-Induced Contraction in the Isolated Endothelium-Denuded Rat Aorta Involves PKC-δ-mediated JNK Phosphorylation. Int J Med Sci. 2015 Sep 4;12(9):727-36. [3]. Luh C, et al. Inhibition of myosin light chain kinase reduces brain edema formation after traumatic brain injury. J Neurochem. 2010 Feb;112(4):1015-25. Chemical & Physical Properties Exact Mass 451.982208 PSA 57.79000 LogP 4.57790 InChIKey KDDALCDYHZIZMH-UHFFFAOYSA-N Storage condition -20℃
Transport Info	Product name: 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine, hydrochloride

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1-((5-IODONAPHTHALEN-1-YL)SULFONYL)-1,4-DIAZEPANE HYDROCHLORIDE

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