C141

CGS-21680 hydrochloride hydrate

solid

• Synonym(s): 2-p-(2-Carboxyethyl)phenethylamino-5′-N-ethylcarboxamidoadenosine hydrochloride hydrate
• Empirical Formula (Hill Notation): C₂₃H₂₉N₇O₆ · HCl · xH₂O
• CAS Number: 124182-57-6
• Molecular Weight: 535.98 (anhydrous basis)
• MDL number: MFCD11045878
• UNSPSC Code: 12352200
• PubChem Substance ID: 24277698
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• Quality Level: 100
• form: solid
• storage condition: desiccated
• color: white
• solubility: DMSO: >10 mg/mL; 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 20 mg/mL
• storage temp.: −20°C
• SMILES string: O.Cl.CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23
• InChI: 1S/C23H29N7O6.ClH.H2O/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);1H;1H2/t16-,17+,18-,22+;;/m0../s1
• InChI key: VIRPCGAECNOLOO-VBQNEDDFSA-N
• Gene Information: human ... ADORA2A(135) , ADORA2B(136)

Description

Biochem/physiol Actions

Adenosine receptor agonist, which possesses selectivity for A₂ verses A₁ receptors.

Caution

Hygroscopic

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves