![trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid structure, CAS 701232-20-4](/structures/60000/57949_1_701232_20_4.png)
CAS Number701232-20-4
Synonymscc-141; DGAT-3; trans-4-(4-(4-amino-7,7-dimethyl-7h-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexaneacetic acid; T863
Molecular FormulaC22H26N4O3
Molecular Weight394.47
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point616.6±55.0 °C at 760 mmHg
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 701232-20-4 |
| Catalog No. | 2A-9057949 |
| Chinese Name | 反式-4-[4-(4-氨基-7,7-二甲基-7H-嘧啶并[4,5-B][1,4]噁唑-6-基)苯基]-环己基乙酰胺 |
| Synonyms | cc-141; DGAT-3; trans-4-(4-(4-amino-7,7-dimethyl-7h-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexaneacetic acid; T863 |
| Molecular Formula | C22H26N4O3 |
| Molecular Weight | 394.47 |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 616.6±55.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | 2-8℃ |
| Application | T-863 is an orally active selective inhibitor of diacylglycerol acyltransferase 1 (DGAT1). It can bind to the acyl-CoA binding site of DGAT1 and inhibit the synthesis of triacylglycerol in cells. |
| PubChem ID | 329825541 |
| MDL Number | MFCD11977270 |
| SMILES | CC1(C)Oc2ncnc(N)c2N=C1c3ccc(cc3)[C@@H]4CC[C@H](CC4)CC(O)=O |
| InChI | 1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14- |
| InChI Key | FUIYMYNYUHVDPT-HDJSIYSDSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| Hazard Symbols | transportation |
| MSDS | msds/57949_1_701232_20_4.pdf |
| Bioactivity | T-863(DGAT-1 inhibitor) is an orally active, selective and potent DGAT1 (Acyl-CoA:diacylglycerol acyltransferase 1) inhibitor that interacts with the acyl-CoA binding site of DGAT1, and inhibits triacylglycerol synthesis in cells.IC50 value:Target: DGAT1T863 causes weight loss, reduction in serum and liver triglycerides, and improved insulin sensitivity in obese mice. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Metabolic Disease References [1]. Cao J, et al. Targeting Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) with small molecule inhibitors for the treatment of metabolic diseases. J Biol Chem. 2011 Dec 2;286(48):41838-51. [2]. Dow RL, et al. Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6122-5. [3]. Qian Y, et al. 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( Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 616.6±55.0 °C at 760 mmHg Molecular Formula C22H26N4O3 Molecular Weight 394.467 Flash Point 326.7±31.5 °C Exact Mass 394.200500 PSA 110.69000 LogP 3.06 Vapour Pressure 0.0±1.9 mmHg at 25°C Index of Refraction 1.674 InChIKey FUIYMYNYUHVDPT-UHFFFAOYSA-N SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CC(=O)O)CC2)cc1 Storage condition 2-8℃ |
| Use of | Properties Name 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid Synonym More Synonyms DGAT-3 Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Metabolic Disease References [1]. Cao J, et al. Targeting Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) with small molecule inhibitors for the treatment of metabolic diseases. J Biol Chem. 2011 Dec 2;286(48):41838-51. [2]. Dow RL, et al. Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6122-5. [3]. Qian Y, et al. 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( Chemical & Physical Properties Molecular Formula C22H26N4O3 Exact Mass 394.200500 PSA 110.69000 Index of Refraction 1.674 InChIKey FUIYMYNYUHVDPT-UHFFFAOYSA-N Storage condition 2-8℃ |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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