RO-5006036
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555832

CAS#: 939375-07-2

Description: RO-5006036, also known as DGAT1-IN-3, is a potent, selective and orally bioavailable inhibitor of DGAT-1.


Chemical Structure

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RO-5006036
CAS# 939375-07-2

Theoretical Analysis

MedKoo Cat#: 555832
Name: RO-5006036
CAS#: 939375-07-2
Chemical Formula: C20H19F3N4O3
Exact Mass: 420.14
Molecular Weight: 420.390
Elemental Analysis: C, 57.14; H, 4.56; F, 13.56; N, 13.33; O, 11.42

Price and Availability

Size Price Availability Quantity
10mg USD -2 2 Weeks
5g USD -2 2 Weeks
25mg USD 250 2 Weeks
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 1950 2 Weeks
1g USD 2950 2 Weeks
2g USD 5250 2 Weeks
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Synonym: DGAT1-IN-3; RO-5006036; RO 5006036; RO5006036;

IUPAC/Chemical Name: N-(6-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide

InChi Key: QEZWDFXCTTZZRI-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)

SMILES Code: O=C(C1=C(C(F)(F)F)OC(C2=CC=CC=C2)=N1)NC3=CC=C(N(CCOC)C)N=C3

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: >3 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:

Product Data:
Biological target: RO-5006036 has IC50s of 38 nM for human DGAT-1 and 120 nM for rat DGAT-1.
In vitro activity: To be determined
In vivo activity: RO-5006036 demonstrated in vivo efficacy in a diet-induced obesity rat model. Reference: Bioorg Med Chem Lett. 2011 Dec 1;21(23):7205-9. https://pubmed.ncbi.nlm.nih.gov/22001092/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 237.87

Preparing Stock Solutions

The following data is based on the product molecular weight 420.39 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
Formulation protocol: 1. Yun W, Ahmad M, Chen Y, Gillespie P, Conde-Knape K, Kazmer S, Li S, Qian Y, Taub R, Wertheimer SJ, Whittard T, Bolin D. Discovery and optimization of 2-phenyloxazole derivatives as diacylglycerol acyltransferase-1 inhibitors. Bioorg Med Chem Lett. 2011 Dec 1;21(23):7205-9. doi: 10.1016/j.bmcl.2011.09.039. Epub 2011 Sep 22. PMID: 22001092. 2. Qian Y, Wertheimer SJ, Ahmad M, Cheung AW, Firooznia F, Hamilton MM, Hayden S, Li S, Marcopulos N, McDermott L, Tan J, Yun W, Guo L, Pamidimukkala A, Chen Y, Huang KS, Ramsey GB, Whittard T, Conde-Knape K, Taub R, Rondinone CM, Tilley J, Bolin D. Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes. J Med Chem. 2011 Apr 14;54(7):2433-46. doi: 10.1021/jm101580m. Epub 2011 Mar 17. PMID: 21413799.
In vitro protocol: To be determined
In vivo protocol: 1. Yun W, Ahmad M, Chen Y, Gillespie P, Conde-Knape K, Kazmer S, Li S, Qian Y, Taub R, Wertheimer SJ, Whittard T, Bolin D. Discovery and optimization of 2-phenyloxazole derivatives as diacylglycerol acyltransferase-1 inhibitors. Bioorg Med Chem Lett. 2011 Dec 1;21(23):7205-9. doi: 10.1016/j.bmcl.2011.09.039. Epub 2011 Sep 22. PMID: 22001092. 2. Qian Y, Wertheimer SJ, Ahmad M, Cheung AW, Firooznia F, Hamilton MM, Hayden S, Li S, Marcopulos N, McDermott L, Tan J, Yun W, Guo L, Pamidimukkala A, Chen Y, Huang KS, Ramsey GB, Whittard T, Conde-Knape K, Taub R, Rondinone CM, Tilley J, Bolin D. Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes. J Med Chem. 2011 Apr 14;54(7):2433-46. doi: 10.1021/jm101580m. Epub 2011 Mar 17. PMID: 21413799.

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