Basic information
- CAS
186452-09-5- Standard SMILES
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1- InChIKey
OQAHHWOPVDDWHD-INIZCTEOSA-N- Molecular formula
- C20H28N2O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.20490738
Overview
structure given in first source
Names & identifiers
- Preferred name
- Gpi-1046
- IUPAC
- 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
- English name
- (S)-3-(Pyridine-3-yl)propyl-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
- Molecular formula
- C20H28N2O4
- Molecular weight
- 360.45
Names & synonyms
gpi-1046186452-09-5GPI 1046DTXSID00332191RefChem:782660DTXCID50283285(S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate(S)-3-(PYRIDINE-3-YL)PROPYL 1-(3,3-DIMETHYL-2-OXOPENTANOYL)PYRROLIDINE-2-CARBOXYLATE3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylateCHEMBL6367(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATEL-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-, 3-(3-pyridinyl)propyl ester
Show more names
CS-1033GPI-1046, 10 mM in DMSO1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline 3-(3-pyridinyl)propyl Ester(S)-3-(Pyridine-3-yl)propyl-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate(S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate , GPI-1046(S)-3-(Pyridine-3-yl)propyl-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate USP/EP/BPGPI-1046,GPI1046,Human immunodeficiency virus,GPI 1046,FKBP,FK506-binding protein,inhibit,HIV,Inhibitor
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 501.5 · 501.5±60.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 5.37 · 5.37±0.10(Predicted)
- form
- Oil
- color
- Clear Colorless
- InChI
- InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
- InChIKey
- OQAHHWOPVDDWHD-INIZCTEOSA-N
- SMILES
- C(OCCCC1=CC=CN=C1)(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC
Chemistry & industry
Applications
UsesGPI 1046 shows some effect on neuron survival and regeneration in studies.
Suppliers54 total
广州诚创生物科技有限公司18027266590 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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