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MedKoo Cat#: 561676 | Name: BMS-817399

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BMS-817399 is an orally bioavailable and potent CCR1 antagonist.

Chemical Structure

BMS-817399
BMS-817399
CAS#1202400-18-7

Theoretical Analysis

MedKoo Cat#: 561676

Name: BMS-817399

CAS#: 1202400-18-7

Chemical Formula: C23H36ClN3O4

Exact Mass: 453.2394

Molecular Weight: 454.00

Elemental Analysis: C, 60.85; H, 7.99; Cl, 7.81; N, 9.26; O, 14.10

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.