WYE-354
- Iupac Name：methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
- CAS No.: 1062169-56-5
- Molecular Weight：495.54
- Modify Date.: 2022-11-22 20:08
- Introduction:
WYE-354 is an ATP-competitive mTOR inhibitor with an IC50 of 5 nM. WYE-354 also inhibits PI3Kα and PI3Kγ with IC50s of 1.89 μM and 7.37 μM, respectively. WYE-354 inhibits both mTORC1 and mTORC2.
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester is a carbamate ester.
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1. Names and Identifiers
- 1.1 Name
- WYE-354
- 1.2 Synonyms
1-Piperidinecarboxylic acid, 4-[6-[4-[(methoxycarbonyl)amino]phenyl]-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, methyl ester 4-[6-[4-[(Methoxycarbonyl)amino]phenyl]-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid methyl ester CS-441 Methyl 4-(6-(4-(methoxycarbonylamino)phenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pip methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate WYE 354 WYE-354 WYE-354 (Degrasyn)
- 1.3 CAS No.
- 1062169-56-5
- 1.4 CID
- 44219749
- 1.5 Molecular Formula
- C24H29N7O5 (isomer)
- 1.6 Inchi
- InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)
- 1.7 InChkey
- IMXHGCRIEAKIBU-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5
- 1.9 Isomers Smiles
- COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5
2. Properties
- 2.1 Density
- 1.46
- 2.1 Boiling point
- 594.202 °C at 760 mmHg
- 2.1 Refractive index
- 1.692
- 2.1 Flash Point
- 313.162 °C
- 2.1 Precise Quality
- 495.22300
- 2.1 PSA
- 123.94000
- 2.1 logP
- 2.98740
- 2.1 Solubility
- DMSO ≥99mg/mL Water <1mg/mL Ethanol <1mg/mL
- 2.2 pKa
- 13.42±0.70(Predicted)
- 2.3 Water Solubility
- DMSO ≥99mg/mL Water <1mg/mL Ethanol <1mg/mL
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
1062169-56-5Total: 1 Synthesis Route
6. Computational chemical data
- Molecular Weight: 495.54g/mol
- Molecular Formula: C24H29N7O5
- Compound Is Canonicalized: True
- XLogP3-AA: 1.9
- Exact Mass: 495.22301705
- Monoisotopic Mass: 495.22301705
- Complexity: 753
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 124
- Heavy Atom Count: 36
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFgB/AAAHgAYAAAADCjhmwY/+N/IFACqAjZnfACShCshgqAd2CAoZJmKKKLA2dGHpAhongLYyCcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
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- Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
- Tel:86-571-87396430
WYE354
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2017/12/14
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WYE354
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2013/04/24
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WYE-354
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/25
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8. Realated Product Infomation
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