BMS-823778 , CAS No.1140897-32-0, Inhibitor of hydroxysteroid 11-beta dehydrogenase 1

Item Number
B608140
Grouped product items
SKUSizeAvailabilityPrice Qty
B608140-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$300.90
B608140-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,000.90

Basic Description

SynonymsBMS-823778 free base | BMS-823778 | 1140897-32-0 | 8JYO8VTR11 | BMS-823778 (free base) | 2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol | 2-(3-(1-(4-chlorophenyl)cyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol | 2-{3-[1-
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of hydroxysteroid 11-beta dehydrogenase 1

Associated Targets(Human)

HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
INCHI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
InChi Key PTIFVLOBVCIMKL-UHFFFAOYSA-N
Canonical SMILES Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C
Isomeric SMILES CC(C)(C1=CC=CN2C1=NN=C2C3(CC3)C4=CC=C(C=C4)Cl)O
PubChem CID 42634627

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Gathercole LL, Lavery GG, Morgan SA, Cooper MS, Sinclair AJ, Tomlinson JW, Stewart PM.  (2013)  11β-Hydroxysteroid dehydrogenase 1: translational and therapeutic aspects..  Endocr Rev,  34  (4): (525-55).  [PMID:23612224] [10.1021/op500134e]
2. Cheng Y, Wang L, Iacono L, Zhang D, Chen W, Gong J, Humphreys WG, Gan J.  (2018)  Clinical significance of CYP2C19 polymorphisms on the metabolism and pharmacokinetics of 11β-hydroxysteroid dehydrogenase type-1 inhibitor BMS-823778..  Br J Clin Pharmacol,  84  (1): (130-141).  [PMID:28850715] [10.1021/op500134e]
3. Gong J, Iacono L, Iyer RA, Humphreys WG, Zheng M.  (2018)  Physiologically-based pharmacokinetic modelling of a CYP2C19 substrate, BMS-823778, utilizing pharmacogenetic data..  Br J Clin Pharmacol,  84  (6): (1335-1345).  [PMID:29469197] [10.1021/op500134e]
4. Gong J, Hansen L, Iacono L.  (2018)  Clinical Pharmacokinetics and the Impact of Genetic Polymorphism on a CYP2C19 Substrate, BMS-823778, in Healthy Subjects..  Drug Metab Dispos,  46  (3): (316-325).  [PMID:29311135] [10.1021/op500134e]
5. Li J, Kennedy LJ, Walker SJ, Wang H, Li JJ, Hong Z, O'Connor SP, Ye XY, Chen S, Wu S et al..  (2018)  Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD-1)..  ACS Med Chem Lett,  (12): (1170-1174).  [PMID:30613321] [10.1021/acsmedchemlett.8b00307]

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