Basic information
- CAS
120615-25-0- Standard SMILES
NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12- InChIKey
OGKYMFFYOWUTKV-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2S
- Average molar mass
- 285.75 g/mol
- Monoisotopic mass
- 285.0338755
Overview
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide is a member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of isoquinolines, a sulfonamide, an organochlorine compound and a primary amino compound.
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
- IUPAC
- N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
- English name
- CKI-7
- Molecular formula
- C11H12ClN3O2S
- Molecular weight
- 285.75
Names & synonyms
120615-25-0N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamideDTXSID201529348-Isoquinolinesulfonamide, N-(2-aminoethyl)-5-chloro-3IE84W82O5CHEBI:47322RefChem:824935N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamideDTXCID2075425CKI-7CKI-7 (free base)CKI 7
Show more names
CKI 7 free base,CKI7 free baseN-(2-AMinoethyl)-5-chloro-isoquinolin-8-sulphonaMide8-[N-(2-Aminoethyl)sulphamoyl]-5-chloroisoquinoline, CKI-78-Isoquinolinesulfonamide, N-(2-aminoethyl)-5-chloro- Dihydrochloride
N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulphonamideMFCD00269886CKI-7 free baseN-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide2csnCKIOGKYMFFYOWUTKV-UHFFFAOYSA-N8-Isoquinolinesulfonamide,N-(2-aminoethyl)-5-chloro-
Database identifiers
- CAS
120615-25-0- PubChem CID
- 129236
- DTXSID
DTXSID20152934
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 188 · 188-190°C
- Boiling point
- 499.7 · 499.7±55.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 9 mg/mL
- pka
- 7.8 · 7.80±0.50(Predicted)
- form
- solid
- color
- white
- FDA UNII
- 3 IE84W82O5 · 3IE84W82O5
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 270 · P270-P301+P310-P321
- Hazard Codes
- T
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933499090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P270-P301+P310-P321
Chemistry & industry
Applications
UsesCKI-7 is found to have a potent inhibitory action against casein kinase 1 completely with respect to ATP and a much weaker effect on casein kinase 2 and other protein kinases.
Suppliers18 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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