Basic information
- CAS
84478-11-5- Standard SMILES
CNCCNS(=O)(=O)c1cccc2cnccc12- InChIKey
PJWUXKNZVMEPPH-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2S
- Average molar mass
- 265.33 g/mol
- Monoisotopic mass
- 265.08849772
Overview
N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide is a member of isoquinolines and a sulfonamide.
Names & identifiers
- Preferred name
- N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
- IUPAC
- N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide
- English name
- N-(2-(Methylamino)ethyl)isoquinoline-
- Molecular formula
- C12H15N3O2S
- Molecular weight
- 265.33
Names & synonyms
84478-11-5N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamideN-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamideProtein kinase inhibitor H-8H-8 Protein kinase inhibitorH8 protein kinase inhibitorN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEN-(2-(Methylamino)ethyl)isoquinoline-5-sulfonamideTX277E49WTDTXSID202334545-Isoquinolinesulfonamide, N-(2-(methylamino)ethyl)-CHEBI:43561
Show more names
N-(2-(Methylamino)ethyl)isoquinoline-N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide.2HClN-(2-(methylamino)ethyl)isoquinoline-5-sulfonamide dihclN-(2-(Methylamino)ethyl)isoquinoline- 5-sulfonamide dihydrochlorN-(2-(METHYLAMINO)ETHYL)ISOQUINOLINE- 5-SULFONAMIDE DIHYDROCHLORIDE (H8)
5-isoquinolinesulfonamide, N-[2-(methylamino)ethyl]-RefChem:161621DTXCID20155945617-573-3h-8(5-Isoquinolylsulfonyl)[2-(methylamino)ethyl]amineLopac-M-9656Protein kinase inhibitor 7
Database identifiers
- CAS
84478-11-5- PubChem CID
- 3540
- DTXSID
DTXSID20233454- ChEMBL
CHEMBL148333- ChEBI
CHEBI:43561- UNII
- TX277E49WT
- EC Number
- 617-573-3
- Nikkaji
- J228.129E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 238 · 238-246°C dec.
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 25 mg/mL, · ethanol: 25 mg/mL, clear, colorless
- form
- White to off-white solid.
- FDA UNII
- 277 E49WT · TX277E49WT
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Applications
UsesActive inhibitor of cyclic-nucleotide-dependent protein kinases
Suppliers4 total
凯试(上海)科技有限公司021-50135380 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide is a member of isoquinolines and a sulfonamide.
Related reactions
4 records
Compound notes
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