Basic information
- Standard SMILES
CC1CN(S(=O)(=O)c2cccc3cnccc23)CCN1- InChIKey
QGSCXAWTTISKLF-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2S
- Average molar mass
- 291.37 g/mol
- Monoisotopic mass
- 291.10414778
Overview
a positional isomer of H-7; inhibits protein kinase and cAMP-dependent protein kinase
Names & identifiers
- Preferred name
- iso-H 7
- IUPAC
- 5-(3-methylpiperazin-1-yl)sulfonylisoquinoline
- English name
- 1-(5-ISOQUINOLINYLSULFONYL)-3-METHYL-PIPERAZINE
- Molecular formula
- C14H17N3O2S
- Molecular weight
- 291.37
Names & synonyms
84477-73-61-(5-Isoquinolinylsulfonyl)-3-methylpiperazineIso-H-7ISO-H71-(5-isoquinolinesulfonyl)-3-methylpiperazineiso-H 7RefChem:9236125-((3-Methylpiperazin-1-yl)sulfonyl)isoquinoline5-(3-methylpiperazin-1-yl)sulfonylisoquinolineNSC6835475-[(3-methylpiperazin-1-yl)sulfonyl]isoquinolineDTXSID701004755
Show more names
1-(5-ISOQUINOLINYLSULFONYL)-3- METHYLPIP1-(5-isoquinolinylsulfonyl)-3-*methylpiperazine FIsoquinoline, 5-[(3-methyl-1-piperazinyl)sulfonyl]-1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine, Iso-H-7
1-(5-ISOQUINOLINYLSULFONYL)-3-METHYL-PIPERAZINELopac0_000662Oprea1_059623Piperazine, 1-(5-isoquinolinylsulfonyl)-3-methyl-SCHEMBL1165362CHEMBL1555085SCHEMBL30084457BDBM86727
Database identifiers
- CAS
84477-73-6- PubChem CID
- 1352
- DTXSID
DTXSID701004755- ChEMBL
CHEMBL1555085- Nikkaji
- J472.135G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 495.3 · 495.3±55.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.72 · 7.72±0.40(Predicted)
- form
- powder
- BRN
- 5445506 · 5445506
- InChI
- 1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3
- InChIKey
- QGSCXAWTTISKLF-UHFFFAOYSA-N
- SMILES
- CC1CN(CCN1)S(=O)(=O)c2cccc3cnccc23
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Suppliers3 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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