Basic information
- CAS
140187-25-3- Standard SMILES
N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O- InChIKey
AXXYLTBQIQBTES-BYPYZUCNSA-N- Molecular formula
- C7H8IN3O4
- Average molar mass
- 325.06 g/mol
- Monoisotopic mass
- 324.95595
Names & identifiers
- Preferred name
- Iodo-Willardiine
- IUPAC
- (2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acid
- English name
- (S)-(-)-5-Iodowillardiine
- Molecular formula
- C7H8IN3O4
- Molecular weight
- 325.06
Names & synonyms
IODO-WILLARDIINERefChem:791144140187-25-3(S)-(-)-5-IODOWILLARDIINES-5-Iodowillardiine(s)-5-iodowillardiine5-iodowillardiine5-(S)-Iodowillardiine(S)-2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid(2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acidCHEMBL1219152-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Show more names
IW(S)()5Iodowillardiine,(S) ( ) 5 Iodowillardiine[(S)]-1(2-AMINO-2-CARBOXYETHYL)-5-IODOPYRIMIDINE-2,4-DIONE1(2H)-Pyrimidinepropanoic acid, α-amino-3,4-dihydro-5-iodo-2,4-dioxo-, (αS)-
(2S)-2-amino-3-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acidIWD3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine5 Iodowillardine1mqgTocris-0307JA824MLW6GLopac0_001239
Database identifiers
- CAS
140187-25-3- PubChem CID
- 447196
- DTXSID
DTXSID90332246- ChEMBL
CHEMBL121915- UNII
- JA824MLW6G
- Nikkaji
- J669.187K
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 2.21 · 2.21±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 8.12 mg/ml · <8.12mg/ml in 1.1eq. NaOH
- pka
- 2.12 · 2.12±0.10(Predicted)
- form
- solid
- color
- white
- InChI
- 1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
- InChIKey
- AXXYLTBQIQBTES-BYPYZUCNSA-N
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(S)-(-)-5-Iodowillardiine is a compound that contains a high affinity for the kainate receptor subtype hGluR5..
Suppliers17 total
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [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]
Ascent Scientific4401179829988 · [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]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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