YIL 781
- Iupac Name：6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
- CAS No.: 875258-85-8
- Molecular Weight：409.5
- Modify Date.: 2022-12-11 16:15
- Introduction: YIL 781 is a ghrelin receptor antagonist useful in the treatment of obesity and diabetes. YIL 781Supplier
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1. Names and Identifiers
- 1.1 Name
- YIL 781
- 1.2 Synonyms
(S)-6-(4-Fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)methyl]-2-methylquinazolin-4(3H)-one 4(3H)-Quinazolinone, 6-(4-fluorophenoxy)-2-Methyl-3-[[(3S)-1-(1-Methylethyl)-3-piperidinyl]Methyl]- 6-(4-Fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]-4(3H)-quinazolinone hydrochloride CS-765 Mesulergine hydrochloride YIL-781 YIL-781 hydrochloride YIL781, CID 23631116
- 1.3 CAS No.
- 875258-85-8
- 1.4 CID
- 23631116
- 1.5 Molecular Formula
- C24H28FN3O2 (isomer)
- 1.6 Inchi
- InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
- 1.7 InChkey
- FRKXOBMDEXCHHD-SFHVURJKSA-N
- 1.8 Canonical Smiles
- CC(C)N1CCC[C@H](CN2C(C)=NC3=C(C=C(OC4=CC=C(F)C=C4)C=C3)C2=O)C1
- 1.9 Isomers Smiles
- CC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)F)C(=O)N1C[C@H]4CCCN(C4)C(C)C
2. Properties
- 2.1 Density
- 1.2±0.1 g/cm3 (Predicted)
- 2.1 Boiling point
- 578.8±50.0 C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.603 (Predicted)
- 2.1 Flash Point
- 303.8±30.1 C (Predicted)
- 2.1 Precise Quality
- 445.19300
- 2.1 PSA
- 47.36000
- 2.1 logP
- 5.49660
- 2.1 Solubility
- H2O: soluble2mg/mL, clear (warmed)
- 2.2 Color/Form
- , white to yellow to light brown
- 2.3 Water Solubility
- H2O: soluble2mg/mL, clear (warmed)
- 2.4 StorageTemp
- room temp
3. Use and Manufacturing
- 3.1 Usage
- YIL 781 is a ghrelin receptor antagonist useful in the treatment of obesity and diabetes. YIL 781Supplier
4. 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
5. Other Information
- 5.0 Uses
- YIL 781 is a ghrelin receptor antagonist useful in the treatment of obesity and diabetes.
- 5.1 用途
-
YIL-781 Ghrelin receptor antagonist (GHS-R1a) (Ki = 17 nM).
6. Computational chemical data
- Molecular Weight: 409.5g/mol
- Molecular Formula: C24H28FN3O2
- Compound Is Canonicalized: True
- XLogP3-AA: 4.1
- Exact Mass: 409.21655531
- Monoisotopic Mass: 409.21655531
- Complexity: 632
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 45.1
- Heavy Atom Count: 30
- Defined Atom Stereocenter Count: 1
- 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: AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHwAAAAAADSzBmAwzxoMABACoAidydACCCAEkIgAJiAEebMgMJjqE/ZuGOajkxhGI6ce6yBCOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==
7. Recommended Suppliers
-
- Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
- Tel:0086-531-58773055
YIL781
- Purity:99%Packing: 200kg/bag FOB
- Price: 0 RMB/kilogram
- Time: 2018/11/21
Inquire
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- Products:API & API intermediates
- Tel:86-21-33758180
YIL 781
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2022/11/29
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YIL781
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/25
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YIL781
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/24
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8. Realated Product Infomation
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