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4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline structure

CAS No:
451462-58-1
Formula:
C16H21N3O2S
Chemical Name:
4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
Synonyms:
2-methyl-1-((4-methyl-5-isoquinolinyl)sulfonyl)homopiperazine;dimethylfasudil;H 1152;H 1152P;H-1152;H-1152P;H1152 cpd;H1152P;H-1152;451462-58-1;(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE;H-1152P;CHEBI:88220;dimethylfasudil;4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;H1152;(S)-4-Methyl-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline;(S)-H-1152 (hydrochloride);H52;dimethyl fasudil;4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline;2gnh;2gnl;1q8u;H 1152;SCHEMBL124161;CHEMBL406821;BDBM14028;ZINC22706;DTXSID20735620;(S)-(+)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLYNYL)SULFONYL]HOMOPIPERAZINE;BCP16935;3714AH;NSC780205;CS-1536;DB07876;NSC-780205;NCGC00378616-03;HY-15720;W-5343;Q27097084;(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane;4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline;(s)-(+)-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-homopiperazine;(S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]homopiperazine;4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline;(S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl] -hexahydro-1H-1,4-diazepine dihydrochloride
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane is 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. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of isoquinolines and a N-sulfonyldiazepane. It is a conjugate base of a (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+).

4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline Basic Attributes

Molecular Weight：

319.4 g/mol

Exact Mass：

319.13544809 g/mol

DSSTox ID：

DTXSID20735620

Characteristics

PSA：

70.7 Å²

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methyl-1-((4-methyl-5-isoquinolinyl)sulfonyl)homopiperazine

Computed Properties

Molecular Weight:319.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:319.13544809
Monoisotopic Mass:319.13544809
Topological Polar Surface Area:70.7
Heavy Atom Count:22
Complexity:476
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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(S)-(+)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLYNYL)SULFONYL]HOMOPIPERAZINE

CAS No.: 451462-58-1

Grade: Industrial Grade

Content: 99%

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Guide of 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
Latest News
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