Basic information
- CAS
4910-46-7- Standard SMILES
CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O- InChIKey
GUCKKCMJTSNWCU-BQBZGAKWSA-N- Molecular formula
- C11H16N2O8
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.09066547
Overview
Spaglumic acid is a peptide.
Names & identifiers
- Preferred name
- Spaglumic Acid
- IUPAC
- (2S)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid
- English name
- Ac-Asp(Glu-OH)-OH
- Molecular formula
- C11H16N2O8
- Molecular weight
- 304.25
Names & synonyms
4910-46-7Spaglumic acid [INN]Acido aspaglumicoAcidum spagluminicumAcido espaglumicoX81L78B3RBSpaglumic acid (INN)N-(N-Acetyl-L-beta-aspartyl)-L-glutamic acidNSC-758468N-Acetyl-L-beta-aspartyl-L-glutamic acidSPAGLUMIC ACID [MART.]SPAGLUMIC ACID [WHO-DD]
Show more names
β-Spaglumic AcidN-acetylaspartylglutamate (NAAG)SpaglumicAc-D(E)-OHAc-β-Asp-Glu-OHAc-Asp(Glu-OH)-OHAc-L-βAsp-L-Glu-OHAC-BETA-ASP-GLU-OHn-acetyl-b-asp-gluN-ACETYL-BETA-ASP-GLU
N-(N-Acetyl-L-beta-aspartyl)-L-glutaminsaeureNSC 758468(3S,7S)-9-Oxo-4,8-diazadecan-1,3,7-tricarbonsaeure(2S)-2-[(3S)-3-CARBOXY-3-ACETAMIDOPROPANAMIDO]PENTANEDIOIC ACIDL-Glutamic acid, N-(N-acetyl-L-beta-aspartyl)-SPAGLUMIC ACID (MART.)L-GLUTAMIC ACID, N-(N-ACETYL-L-.BETA.-ASPARTYL)-acido spaglumico
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 113 · 113-115 °C (decomp)
- Boiling point
- 775.8 · 775.8±60.0 °C(Predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.28 · 3.28±0.10(Predicted)
- form
- powder
- color
- white to faint yellow
- InChI
- 1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)
- InChIKey
- GUCKKCMJTSNWCU-BQBZGAKWSA-N
- SMILES
- CC(=O)NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O
- FDA UNII
- 81 L78B3RB · X81L78B3RB
- UNSPSC Code
- 12352209 · 12352209
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
S - Sensory organs
R - Respiratory system
QR - Respiratory system
QS - Sensory organs
Mechanism of Action
Spaglumic acid is a mast cell stabilizer. Mast cells are involved in producing an allergic response by releasing inflammatory mediators such as histamine. Mast cell stablizers block the release of histamine and other mediators by inhibiting mast cell degranulation, which is the process of releasing these mediators. Inhibition occurs through inhibition of specific calcium channels to stabilize the mast cell and prevent degranulation.
Applications
Usesneurotransmitter; mGluR3 receptors
Suppliers38 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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