3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine , CAS No.327093-42-5

Item Number
A668836
Grouped product items
SKUSizeAvailabilityPrice Qty
A668836-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
A668836-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90

Basic Description

Synonyms3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | MERCK-544 | Merck 544 | 11ss-HSD1 inhibitor 544 | 3-(Adamantan-1-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | Compound 544 | Oprea1_175789 | DTXSID40394475 | HMS3745K09 | B

Product Properties

ALogP3.4

Associated Targets(Human)

HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name 3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
INCHI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
InChi Key VFTQRHWULYJKCI-UHFFFAOYSA-N
Canonical SMILES C1CCC2=NN=C(N2CC1)C34CC5CC(C3)CC(C5)C4
Isomeric SMILES C1CCC2=NN=C(N2CC1)C34CC5CC(C3)CC(C5)C4
PubChem CID 3630776
Molecular Weight 271.4

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