Basic information
- CAS
3705-27-9- Standard SMILES
O=C1NCC(=O)N2CCC[C@@H]12- InChIKey
OWOHLURDBZHNGG-YFKPBYRVSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422756
Overview
NA-831 (Traneurocin), is under investigation in two clinical trials: NCT03538522 (completed, for mild cognitive impairment and Alzheimer’s disease) and NCT04452565 (unknown status, combination therapy with Atazanavir and Dexamethasone for COVID-19).
Names & identifiers
- Preferred name
- Cyclo(prolylglycyl)
- IUPAC
- (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
- English name
- CYCLO(-GLY-PRO)
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
Cyclo(prolylglycyl)TraneurocinCyclo(pro-gly)Cyclo-prolylglycineCyclo(pro-O-gly)97011-16-0CYCLIC GLYCINE-PROLINEW7O69J5F2BNa 831NA831NA-831(S)-Hexahydropyrrolo(1,2-a)pyrazine-1,4-dione-4-17O
Show more names
Cyclo(Gly-L-Pro)Cyclo-L-prolylglyciney-Pro)cyclo-GPCyclic (Pro-Gly)CycloglycylprolineCyclo(L-prolylglycyl)Cycloglycyl-L-proline
Pyrrolo(1,2-a)pyrazine-1,4-dione-4-170, hexahydro-, (S)-cycloprolylglycinecyclo(prolyl-glycyl)RefChem:580192cyclo-(Pro-Gly)3705-27-9(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneCYCLO(-GLY-PRO)
Database identifiers
- CAS
3705-27-9、97011-16-0- PubChem CID
- 126154
- DTXSID
DTXSID601384588- ChEMBL
CHEMBL360216- UNII
- W7O69J5F2B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 220 · 220-223℃
- Boiling point
- 447.9 · 447.9±34.0 °C(Predicted)
- Density
- 1.32 · 1.32
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 10 mg/mL · DMSO: >10mg/mL
- form
- powder
- pka
- 13.21 · 13.21±0.20(Predicted)
- Appearance
- White to off-white Solid
- Sequence
- Cyclo(Pro-Gly)
- InChI
- 1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)
- InChIKey
- OWOHLURDBZHNGG-YFKPBYRVSA-N
- SMILES
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Applications
UsesCyclo(-Gly-Pro) and its derivatives can be used as Cyclic Dipeptide Chitinase Inhibitors. It is also used to synthesize 5-HT1A receptor agonists.
Suppliers99 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海波以尔化工有限公司[email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
孟成科技（上海）有限公司
Related reactions
4 records
Compound notes
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