| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
Purity: ≥98%
BMS-819881 is a novel and potent antagonist of MCHR1 (Melanin concentrating hormone receptor 1) with minimal hERG activity. It binds to rat MCHR1 with a Ki of 7 nM and is also selective for CYP3A4 activity with an EC50 of 13 μM. BMS-819881 has the potential to be used as an anti-obesity drug. It is currently under investigation in Phase 1 clinical trial for treating obesity as the phosphate ester pro-drug (BMS-830216).
| ln Vitro |
Rat MCHR1 Ki is 7 nM, while BMS-819881 (compound 27) has a 99.8% binding rate to rat serum proteins. BMS-819881 is a strong and extremely selective antagonist of MCHR1 function, as demonstrated by a FLIPR-based test. In heterologous cells overexpressing MCHR1, BMS-819881 (Kb=32 nM) efficiently inhibits MCH-stimulated Ca2+ mobilization; but, at 10 μM, it is unable to inhibit MCH-mediated Ca2+ mobilization in cells expressing MCHR2. In contrast to a panel consisting of 20 GPCRs linked to steady state feeding, BMS-819881 screening at 10 μM showed no action. BMS-819881's percentage of binding to serum proteins varied according on the species; it was 99.8%, 99.6%, and 99.3% for rats, dogs, and monkeys, respectively. The EC50 values for CYP1A2, CYP2C9, CYP2C19, and CYP2D6 were >40 μM when BMS-819881 was evaluated for cytochrome P450 (CYP) activity; however, the EC50 for CYP3A4 was 13 μM [1].
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| ln Vivo |
In rats (1 mg/kg, intravenously), dogs (1 mg/kg, intravenously), and t1/2=5.7 hours, 32±8 hours, and 14±3 hours in Cynomolgus monkeys (1 mg/kg, intravenously), BMS-819881 exhibits intermediate terminal elimination half-lives [1].
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| References |
| Exact Mass |
468.091
|
|---|---|
| CAS # |
1197420-05-5
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| PubChem CID |
44476451
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
697.7±65.0 °C at 760 mmHg
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| Flash Point |
375.8±34.3 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.698
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| LogP |
3.95
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
700
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OC[C@@H](C5CC5)O
|
| InChi Key |
WKMOSCAIWUUQPD-IBGZPJMESA-N
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| InChi Code |
InChI=1S/C24H21ClN2O4S/c1-30-21-10-17(8-9-20(21)31-12-19(28)14-2-3-14)27-13-26-18-11-22(32-23(18)24(27)29)15-4-6-16(25)7-5-15/h4-11,13-14,19,28H,2-3,12H2,1H3/t19-/m0/s1
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| Chemical Name |
(R)-6-(4-chlorophenyl)-3-(4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Synonyms |
BMS-819881; BMS 819881; BMS819881
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
 J Med Chem.2014 Sep 25;57(18):7509-22. |
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