1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea - 97%, high purity , CAS No.852913-16-7

Item Number

B177656

Grouped product items
SKU	Size	Availability	Price	Qty
B177656-50mg	50mg	In stock	$103.90
B177656-250mg	250mg	In stock	$399.90

Basic Description

Synonyms	852913-16-7 \| N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-N'-[(8A,9S)-6'-METHOXY-9-CINCHONANYL]THIOUREA \| 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea \| 9-(3-(3,5-Bis(trifluorometh
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Galleria mellonella (128 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea
INCHI	InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
InChi Key	IQMKPBFOEWWDIQ-FRSFCCSCSA-N
Canonical SMILES	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
Isomeric SMILES	COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
PubChem CID	11635694
UN Number	2811
Packing Group	III
Molecular Weight	594.62

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Lot Number	Certificate Type	Date	Item
I1906062	Certificate of Analysis	Jul 08, 2022	B177656

Safety and Hazards(GHS)

Pictogram(s)	GHS06
Signal	Danger
Hazard Statements	H301:Toxic if swallowed
Precautionary Statements	P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P316:IF SWALLOWED: Get emergency medical help immediately.
Class	6.1

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Basic Description