5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione
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5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione
structure -
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CAS No:
648450-29-7
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Formula:
C12H7N3O2S
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Chemical Name:
5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione
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Synonyms:
5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione;AS605240;5-(6-Quinoxalinylmethylene)-2,4-thiazolidine-2,4-dione;(E)-5-(quinoxalin-6-ylMethylene)thiazolidine-2,4-dione;2,4-Thiazolidinedione, 5-(6-quinoxalinylMethylene)-;AS-605240(AS 605240);PI 3-Kinase Inhibitor (AS605240) B-0301;(Z)-5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione
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CAS No:
Description
AS-605240 is a specific and orally active inhibitor of the PI3Kγ, with an IC50 of 8 nM, and a Ki of 7.8 nM.
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione is a quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor, an anti-inflammatory agent and an antirheumatic drug. It is a quinoxaline derivative and a member of thiazolidinediones.
Characteristics
97.25000
2.28250
faint red to orange to dark brown
1.6±0.1 g/cm3
1.792
DMSO: soluble1mg/mL, clear (warmed)
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+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.
Computed Properties
Molecular Weight:257.27
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:257.02589765
Monoisotopic Mass:257.02589765
Topological Polar Surface Area:97.2
Heavy Atom Count:18
Complexity:410
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione
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