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Home > Encyclopedia > 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone structure

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone 

structure
  • CAS No:

    105219-56-5

  • Formula:

    C22H22ClN5O2S

  • Chemical Name:

    3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone

  • Synonyms:

    1-Propanone,3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-;Morpholine,4-[3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]-;6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,morpholine deriv.;3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone;Web 2086;Apafant;WEB 2086BS

Description

White Solid


LSM-2613 is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone Basic Attributes

455.96

455.96

J613NI05SV

DTXSID5048974

Characteristics

101

1.32

white to beige

1.48

186-188°C

720.2±70.0 °C(Predicted)

389.4±35.7 °C

1.734

DMSO: soluble10mg/mL (clear solution)

Desiccate at +4°C

1.36E-20mmHg at 25°C

LD50 in mice (mg/kg): 540 i.v.; 4600 orally (Casals-Stenzel)

Safety Information

NONH for all modes of transport

3

P201, P202, P281, P308+P313, P405, P501

H361

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)|Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)

3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone

3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone Use and Manufacturing

Tool to evaluate the role of PAF in experimental models of human disease.

Computed Properties

Molecular Weight:456.0
XLogP3:1.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:455.1182738
Monoisotopic Mass:455.1182738
Topological Polar Surface Area:101
Heavy Atom Count:31
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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