WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561676
CAS#: 1202400-18-7
Description: BMS-817399 is an orally bioavailable and potent CCR1 antagonist.
Hodoodo Cat#: H561676
Name: BMS-817399
CAS#: 1202400-18-7
Chemical Formula: C23H36ClN3O4
Exact Mass: 453.24
Molecular Weight: 454.000
Elemental Analysis: C, 60.85; H, 7.99; Cl, 7.81; N, 9.26; O, 14.10
This product is not in stock, which may be available by custom synthesis.
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Synonym: BMS-817399; BMS 817399; BMS817399;
IUPAC/Chemical Name: 1-[(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
InChi Key: GTDPZONCGOCXOD-JPYJTQIMSA-N
InChi Code: InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
SMILES Code: O=C(NCC(C)(O)C)N[C@H](C(C)C)C(N1CC(C)(C)[C@@](O)(C2=CC=C(Cl)C=C2)CC1)=O
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 454.00 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: Chen H, Pui Y, Liu C, Chen Z, Su CC, Hageman M, Hussain M, Haskell R, Stefanski K, Foster K, Gudmundsson O, Qian F. Moisture-Induced Amorphous Phase Separation of Amorphous Solid Dispersions: Molecular Mechanism, Microstructure, and Its Impact on Dissolution Performance. J Pharm Sci. 2018 Jan;107(1):317-326. doi: 10.1016/j.xphs.2017.10.028. Epub 2017 Oct 26. PubMed PMID: 29107047.
2: Khan JA, Camac DM, Low S, Tebben AJ, Wensel DL, Wright MC, Su J, Jenny V, Gupta RD, Ruzanov M, Russo KA, Bell A, An Y, Bryson JW, Gao M, Gambhire P, Baldwin ET, Gardner D, Cavallaro CL, Duncia JV, Hynes J Jr. Developing Adnectins that target SRC co-activator binding to PXR: a structural approach toward understanding promiscuity of PXR. J Mol Biol. 2015 Feb 27;427(4):924-42. doi: 10.1016/j.jmb.2014.12.022. Epub 2015 Jan 8. PubMed PMID: 25579995.
3: Santella JB 3rd, Gardner DS, Duncia JV, Wu H, Dhar M, Cavallaro C, Tebben AJ, Carter PH, Barrish JC, Yarde M, Briceno SW, Cvijic ME, Grafstrom RR, Liu R, Patel SR, Watson AJ, Yang G, Rose AV, Vickery RD, Caceres-Cortes J, Caporuscio C, Camac DM, Khan JA, An Y, Foster WR, Davies P, Hynes J Jr. Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. J Med Chem. 2014 Sep 25;57(18):7550-64. doi: 10.1021/jm5003167. Epub 2014 Sep 3. PubMed PMID: 25101488.
