Basic information
- CAS
96865-92-8- Standard SMILES
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O- InChIKey
FIQGIOAELHTLHM-UHFFFAOYSA-N- Molecular formula
- C21H28N6O4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.2172034
Names & identifiers
- Preferred name
- Xanthine amine congener
- IUPAC
- N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
- English name
- Xanthine amine congener
- Molecular formula
- C21H28N6O4
- Molecular weight
- 428.48
Names & synonyms
Xanthine amine congenerN-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamideN-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy)acetamideRefChem:110107896865-92-8PapaxacXACn-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamideCHEMBL2730948-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine8-[4-[[[[(2-Aminoethyl)amino]carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthineN-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
Show more names
XAC 3HCLXanthine Impurity 1[(((amino)carbonyl)methoxy)phenyl]-1,3-dipropylxanthineXANTHINE AMINE CONGENER (XAC) \ A1 ADENO SINE RECEPTOR ANTAGONIST1,3-Dipropyl-8-[4-[[(2-aminoethyl)amino]carbonylmethoxy]phenyl]xanthineinhibit,Inhibitor,P1 receptor,Adenosine Receptor,XAC,Xanthine amine congener8-[4-[[[[(2-AMINOETHYL)AMINO] CARBONYL] METHYL]OXY]PHENYL]-1,3-DIPROPYLXANTHINEN-(2-Aminoethyl)-2-[4-[(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin)-8-yl]phenoxy]acetamide
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- storage temp.
- Desiccate at RT
- solubility
- 5 mg/mL · DMSO: >5mg/mL
- form
- Powder
- 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
UsesXanthine amine congener is a potent nonselective adenosine receptor inhibitor.
Suppliers14 total
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]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
BOC Sciences[email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
InvivoChem
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…