S107 - 10mM in DMSO , CAS No.927871-76-9

CAS: 927871-76-9 Cat. No.: S426956 분자식: C₁₁H₁₅NOS 분자량: 209.31 EC 번호: 806-275-0 PubChem CID: 24763624

등급 & 순도 10mM in DMSO

Synonyms

A12716 | 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine | EX-A2503 | S-107;S 107 | 7-Methoxy-4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine | A920274 | AC-35795 | FT-0760478 | 2,3,4,5-Tetrahydro-7-methoxy-4-methyl-1,4-benzothiazepine, analytica

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

S107 is aType 1 ryanodine receptor (RyR1)stabilizer that binds RyR1 and enhances the binding affinity of calstabin-1.

In vitro activity

S107 is a small compound that enhances calstabin2 binding to RyR2 at low nanomolar concentrations and failed to interact with over 400 receptors, enzymes, and ion channels in screens using up to 10 μM of the compound. S107 has no effect on cardiac ion channels including the voltage-gated Na+, K+, and Ca2+ channels at concentrations up to 10 μM, and S107 had no effect on normal Ca2+ signaling in cells. S107 is a promising candidate drug for treating catecholaminergic polymorphic ventricular tachycardia (CPVT). S107 exerts an antiarrhythmic effect on CPVT-hiPSC-CMs. Pre-incubation with 10 μM S107, which stabilizes the closed state of the ryanodine receptor 2, significantly decreases the percentage of CPVT-hiPSC-CMs presenting DADs to 25%. S107 is thought to improve skeletal muscle function by stabilizing the RyR1-FKBP12 complex. S107 increases FKBP12 binding to RyR1 in SR vesicles in the presence of reduced glutathione and the NO-donor NOC12, with no effect in the presence of oxidized glutathione. S107 can reverse the harmful effects of redox active species on SR Ca2+ release in skeletal muscle by binding to RyR1 low affinity sites.

사양

동의어

A12716 | 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine | EX-A2503 | S-107;S 107 | 7-Methoxy-4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine | A920274 | AC-35795 | FT-0760478 | 2,3,4,5-Tetrahydro-7-methoxy-4-methyl-1,4-benzothiazepine, analytica

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528767007

정식 스마일

CN1CCSC2=C(C1)C=C(C=C2)OC

IUPAC Name

7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine

InChIKey

BGVCEGVSQDOGSB-UHFFFAOYSA-N

INCHI

1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3

이성체 SMILES

CN1CCSC2=C(C1)C=C(C=C2)OC

PubChem CID

24763624

분자량

209.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzothiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazepines
• Alternative Parents: Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiazepine - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

RYR2 Tclin Ryanodine receptor 2 (2 Activities)

Discover Target: RYR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RYR1 Tclin RyR1/FKBP12 (34 Activities)

Discover Target: RYR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Ryr2 Ryanodine receptor 2 (21 Activities)

Discover Target: Ryr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 209.310 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.087 Da
• Monoisotopic Mass: 209.087 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 188.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1