WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H530652
CAS#: 1009583-20-3
Description: BMS-816336 is an orally active, potent and selective 11β-HSD1 inhibitor. BMS-816336 showed activity against human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme (IC50 3.0 nM) with >10000 fold selectivity over human 11β-hydroxysteroid dehydrogenase type 2 (11β-HSD2). BMS-816336 exhibits a robust acute pharmacodynamic effects in cynomolgus monkeys (ED50 0.13 mpk) and in DIO mice. BMS-816336 was found to be well-tolerated in Phase 1 clinical studies and represents a potential new treatment for type 2 diabetes, metabolic syndrome, and other human diseases modulated by glucocorticoid control.
Hodoodo Cat#: H530652
Name: BMS-816336
CAS#: 1009583-20-3
Chemical Formula: C21H27NO3
Exact Mass: 341.20
Molecular Weight: 341.451
Elemental Analysis: C, 73.87; H, 7.97; N, 4.10; O, 14.06
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Related CAS #: 1009583-20-3 1009365-98-3,
Synonym: BMS-816336; BMS 816336; BMS816336.
IUPAC/Chemical Name: 2-((1R,2R,3S,5R,6R)-6-hydroxy-2-phenyladamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one
InChi Key: OAAZMUGLOXGVNH-MEMOLBONSA-N, OAAZMUGLOXGVNH-CCVYDFRESA-N
InChi Code: InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14?,16-,17+,20-,21-/m1/s1
SMILES Code: OC1CN(C(C[C@]2(C3=CC=CC=C3)[C@H]4C[C@@H]5[C@@H](O)C(C4)C[C@H]2C5)=O)C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 341.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Ye XY, Chen SY, Wu S, Yoon DS, Wang H, Hong Z, O'Connor SP, Li J, Li JJ, Kennedy LL, Walker SJ, Nayeem A, Sheriff S, Camac DM, Ramamurthy V, Morin PE, Zebo R, Taylor JR, Morgan NN, Ponticiello RP, Harrity T, Apedo A, Golla R, Seethala R, Wang M, Harper TW, Sleczka BG, He B, Kirby M, Leahy DK, Li J, Hanson RL, Guo Z, Li YX, DiMarco JD, Scaringe R, Maxwell BD, Moulin F, Barrish JC, Gordon DA, Robl JA. Discovery of Clinical Candidate 2-((2S,6S)-2-phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an orally active novel selective 11β-hydroxysteroid dehydrogenase type 1 inhibitor. J Med Chem. 2017 May 24. doi: 10.1021/acs.jmedchem.7b00211. [Epub ahead of print] PubMed PMID: 28537398.
2: Maxwell BD. The syntheses of [(13) C(6) ] and [phenyl-(14) C(U)]BMS-816336, an inhibitor of 11β-hydroxysteroid dehydrogenase type 1, for type 2 diabetes. J Labelled Comp Radiopharm. 2017 Mar 8. doi: 10.1002/jlcr.3500. [Epub ahead of print] PubMed PMID: 28273377.
