GLYCYL-L-PROLINE
- Iupac Name:(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
- CAS No.: 704-15-4
- Molecular Weight:172.184
- Modify Date.: 2022-11-29 03:10
- Introduction: N-Glycylproline was found to exhibit anti-ischemic effects on the metabolism of neuroactive amino acids and indices of energy turnover in the neocortex of rats after experimental brain ischemia.
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1. Names and Identifiers
- 1.1 Name
- GLYCYL-L-PROLINE
- 1.2 Synonyms
(S)-1-(2-Aminoacetyl)pyrrolidine-2-carboxylic acid 1-(Aminoacetyl)proline 1: PN: JP2018145111 PAGE: 3 claimed sequence 1: PN: WO2017060857 PAGE: 93 claimed sequence 11: PN: CN101988058 SEQID: 11 claimed sequence 12: PN: WO2014063098 TABLE: 5 claimed sequence 132: PN: US20130123467 SEQID: 158 claimed protein 15: PN: WO2015153838 PAGE: 89 claimed sequence 152: PN: EP2161028 PAGE: 10 claimed protein 19: PN: WO2020009548 SEQID: 19 claimed protein 1-Glycylproline 2: PN: TWI417385 SEQID: 11 claimed sequence 2: PN: WO2011150133 PAGE: 63 claimed sequence 3: PN: WO2020023418 PAGE: 66 claimed sequence 4: PN: WO2016023974 PAGE: 31 claimed sequence 5: PN: WO2021055880 SEQID: 5 claimed protein 7: PN: WO03052099 PAGE: 83 claimed protein 81: PN: WO2011146121 PAGE: 115 claimed sequence GLYCYL-L-PROLINE GLY-PRO GP (peptide) H-GLY-PRO-OH L-Proline, 1-glycyl- L-Proline, glycyl- N-Glycyl-L-proline N-Glycylproline NSC 97929 Proline, 1-glycyl-, L-
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- 1.3 CAS No.
- 704-15-4
- 1.4 CID
- 3013625
- 1.5 EINECS(EC#)
- 211-880-2
- 1.6 Molecular Formula
- C7H12N2O3 (isomer)
- 1.7 Inchi
- InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
- 1.8 InChIkey
- KZNQNBZMBZJQJO-YFKPBYRVSA-N
- 1.9 Canonical Smiles
- C1CC(N(C1)C(=O)CN)C(=O)O
- 1.10 Isomers Smiles
- C1C[C@H](N(C1)C(=O)CN)C(=O)O
2. Properties
- 2.1 Density
- 1.356
- 2.1 Melting point
- 185 oC
- 2.1 Boiling point
- 411.3 °C at 760 mmHg
- 2.1 Refractive index
- -114 ° (C=4, H2O)
- 2.1 Flash Point
- 202.6 °C
- 2.1 Precise Quality
- 172.08500
- 2.1 PSA
- 83.63000
- 2.1 logP
- -0.34110
- 2.1 Solubility
- 易溶 (260 g/L) (25 oC),
- 2.2 Appearance
- Solid
- 2.3 Chemical Properties
- Crystalline
- 2.4 Color/Form
- White to Yellow Solid
- 2.5 pKa
- 3.18±0.20(Predicted)
- 2.6 Water Solubility
- H2O: very faint turbidity
- 2.7 StorageTemp
- −20°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.
- 3.2 GHS Classification
- Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 24 companies from 2 notifications to the ECHA C&L Inventory.
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Precautionary Statement Codes
P264, P280, P305+P351+P338, P33, and P313
- 3.3 Purification Methods
- Crystallise glycyl-L-proline from water at 50-60o by addition of EtOH. [Saidel J Am Chem Soc 77 3893 1955, Bergmann et al. Z Physiol Chem 212 79 1932, Beilstein 22 IV 49.] GLYCYL-L-PROLINESupplier
- 3.4 Usage
- N-Glycylproline was found to exhibit anti-ischemic effects on the metabolism of neuroactive amino acids and indices of energy turnover in the neocortex of rats after experimental brain ischemia.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- 36
- 4.1 Safety Statements
- 26
- 4.1 Hazard Declaration
- H319
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P305 + P351 + P338
- 4.1 WGK Germany
- 3
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Warning |
Hazard statement(s) | H319 Causes serious eye irritation |
Precautionary statement(s) | |
Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
704-15-4Total: 17 Synthesis Route
9. Other Information
- 9.0 Mesh Entry Terms
- Gly-Pro
10. Computational chemical data
- Molecular Weight: 172.184g/mol
- Molecular Formula: C7H12N2O3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 172.08479225
- Monoisotopic Mass: 172.08479225
- Complexity: 205
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 83.6
- Heavy Atom Count: 12
- 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: AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACANAAgAIAAGQGAAAAAAAAAAAAIGIAAACQBIAgCAUQAAEBgCQAACYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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