CHEBI:88220 - (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane

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ChEBI Name (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane
ChEBI ID CHEBI:88220
ChEBI ASCII Name (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane
Definition A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42923
Supplier Information eMolecules:29914484, ZINC000000022706
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Formula C16H21N3O2S
Net Charge 0
Average Mass 319.424
Monoisotopic Mass 319.13545
InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKey AWDORCFLUJZUQS-ZDUSSCGKSA-N
SMILES N1=CC2=C(C(=C1)C)C(=CC=C2)S(N3[C@H](CNCCC3)C)(=O)=O
Roles Classification
Biological Role(s): EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane (CHEBI:88220) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane (CHEBI:88220) is a N-sulfonyldiazepane (CHEBI:46946)
(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane (CHEBI:88220) is a isoquinolines (CHEBI:24922)
(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane (CHEBI:88220) is conjugate base of (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+) (CHEBI:138382)
Incoming (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+) (CHEBI:138382) is conjugate acid of (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane (CHEBI:88220)
IUPAC Name
4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline
Synonyms Sources
(S)-(+)-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]homopiperazine ChEBI
4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline PDBeChem
dimethyl fasudil ChEBI
H 1152 ChEBI
H-1152 ChEBI
H1152 ChEBI
Manual Xref Database
H52 PDBeChem
View more database links
Registry Number Type Source
10182519 Reaxys Registry Number Reaxys
Citations
Colhoun AF, Speich JE, Dolat MT, Habibi JR, Guruli G, Ratz PH, Barbee RW, Klausner AP (2016)
Acute length adaptation and adjustable preload in the human detrusor.
Neurourology and urodynamics 35, 792-797 [PubMed:26227060]
[show Abstract]
Teiti I, Florie B, Pich C, Gence R, Lajoie-Mazenc I, Rochaix P, Favre G, Tilkin-Mariamé AF (2015)
In vivo Effects in Melanoma of ROCK Inhibition-Induced FasL Overexpression.
Frontiers in oncology 5, 156 [PubMed:26236689]
[show Abstract]
Tatsumi E, Yamanaka H, Kobayashi K, Yagi H, Sakagami M, Noguchi K (2015)
RhoA/ROCK pathway mediates p38 MAPK activation and morphological changes downstream of P2Y12/13 receptors in spinal microglia in neuropathic pain.
Glia 63, 216-228 [PubMed:25130721]
[show Abstract]
Clark PR, Kim RK, Pober JS, Kluger MS (2015)
Tumor necrosis factor disrupts claudin-5 endothelial tight junction barriers in two distinct NF-κB-dependent phases.
PloS one 10, e0120075 [PubMed:25816133]
[show Abstract]
Yao C, Johnson WM, Gao Y, Wang W, Zhang J, Deak M, Alessi DR, Zhu X, Mieyal JJ, Roder H, Wilson-Delfosse AL, Chen SG (2013)
Kinase inhibitors arrest neurodegeneration in cell and C. elegans models of LRRK2 toxicity.
Human molecular genetics 22, 328-344 [PubMed:23065705]
[show Abstract]
Last Modified
05 September 2017