Basic information
- CAS
140158-50-5- Standard SMILES
CC(C)(C)c1o[nH]c(=O)c1CC([NH3+])C(=O)[O-]- InChIKey
PIXJURSCCVBKRF-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Overview
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Names & identifiers
- Preferred name
- 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
- IUPAC
- 2-azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
- English name
- ATPA
- Molecular formula
- C10H16N2O4
- Molecular weight
- 228.25
Names & synonyms
2-azaniumyl-3-(5-tert-butyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoateGTPL4140HMS3260K202-azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoateTox21_500139CCG-204234LP00139NCGC00015027-02NCGC00015027-03NCGC00015027-04NCGC00015027-05NCGC00093629-01
Show more names
ATPA(R,S)-ATPAATP synthase α chainalpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate(RS)-A-AMINO-3-HYDROXY-5-TERT-BUTYL-4-ISOXAZOLEPROPIONIC ACID(R,S)-ALPHA-AMINO-3-HYDROXY-5-T-BUTYL-4-ISOXAZOLEPROPIONIC ACID(RS)-ALPHA-AMINO-3-HYDROXY-5-TERT-BUTYL-4-ISOXAZOLEPROPIONIC ACID2-Amino-3-(5-(tert-butyl)-3-oxo-2,3-dihydroisoxazol-4-yl)propanoic acid4-Isoxazolepropanoic acid, α-amino-5-(1,1-dimethylethyl)-2,3-dihydro-3-oxo-
NCGC00093629-02NCGC00260824-01EU-0100139(RS)-2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propanoic acid
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Desiccate at +4°C
- solubility
- 10 mg/mL · DMSO: 10 mg/mL
- form
- solid
- pka
- 2.15 · 2.15±0.10(Predicted)
- color
- white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses(R,S)-ATPA is a selective and potent GluR5 kainate receptor agonist (1,2). It inhibits GluK2 kainate receptor-JNK3 protein pathway by activating GABA type A receptor in rat after cerebral ischemia-reperfusion injury (3). (R,S)-ATPA is a neuroprotective agent.
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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