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N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide structure

CAS No:
120615-25-0
Formula:
C11H12ClN3O2S
Chemical Name:
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
Synonyms:
8-Isoquinolinesulfonamide,N-(2-aminoethyl)-5-chloro-;N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide;CKI 7

Description

Off-White Crystalline SolidChEBI: 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.

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 sulfonamide, a member of isoquinolines, an organochlorine compound and a primary amino compound.

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide Basic Attributes

Molecular Weight：

285.746

Exact Mass：

285.75

UNII：

3IE84W82O5

DSSTox ID：

DTXSID20152934

HScode：

2935009090

Characteristics

PSA：

93.5

XLogP3：

0.8

Appearance：

white solid

Density：

1.432±0.06 g/cm3(Predicted)

Melting Point：

188-190°C

Boiling Point：

499.7±55.0 °C(Predicted)

Flash Point：

256ºC

Refractive Index：

1.644

Water Solubility：

H2O: 9 mg/mL

Storage Conditions：

−20°C

Vapor Pressure：

4.04E-10mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

CKI 7

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide Use and Manufacturing

Found to have a potent inhibitory action against casein kinase 1 completely with respectto ATP and a much weaker effect on casein kinase 2 and other protein kinases

Computed Properties

Molecular Weight:285.75
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:285.0338755
Monoisotopic Mass:285.0338755
Topological Polar Surface Area:93.5
Heavy Atom Count:18
Complexity:371
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide

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