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A013

8-(p-Sulfophenyl)theophylline hydrate

solid

Synonym(s):

8-Pspt, 8-SPT

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About This Item

Empirical Formula (Hill Notation):
C13H12N4O5S · xH2O
CAS Number:
80206-91-3
Molecular Weight:
336.32 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
24277683
MDL number:
MFCD11045953
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assay

≥98% (HPLC)

form

solid

color

white

solubility

DMSO: >10 mg/mL, H2O: 12 mg/mL, ethanol: 12 mg/mL, 0.1 M HCl: 15 mg/mL

SMILES string

O.CN1C(=O)N(C)c2nc([nH]c2C1=O)-c3ccc(cc3)S(O)(=O)=O

InChI

1S/C13H12N4O5S.H2O/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22;/h3-6H,1-2H3,(H,14,15)(H,20,21,22);1H2

InChI key

AYQOEZBHENEBEJ-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290), Adora2a(25369)

Biochem/physiol Actions

Polar adenosine receptor antagonist, which penetrates cells to a limited extent and is relatively soluble in water.

Preparation Note

Solutions may be stored for several days at 4 °C.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
120M4718V
129K4711
058K4720
056K4701
096K4715

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Claudia Penna et al.
The Journal of surgical research, 153(2), 231-238 (2008-08-13)
Postconditioning (PostC) maneuvers allow post-ischemic accumulation of autacoids, which may trigger protection. Intermittent infusion of either bradykinin or diazoxide during early reperfusion triggered PostC protection via redox signaling. Here we tested whether intermittent adenosine (ADO) may trigger PostC-like cardioprotection. Isolated
Patrik Aronsson et al.
Basic & clinical pharmacology & toxicology, 107(1), 603-613 (2010-04-22)
The aim of the present study was to assess the purinoceptor functional responses of the urinary bladder by using isolated rat urinary bladder strip preparations. ATP elicited a transient bladder contraction followed by a sustained relaxation and ADP, UDP and
Eric M George et al.
American journal of physiology. Regulatory, integrative and comparative physiology, 299(6), R1629-R1633 (2010-10-22)
The role of adenosine in the regulation of cardiovascular function has long been acknowledged, but only recently has its importance in angiogenesis been appreciated, most notably, through its direct regulation of the proangiogenic growth factor, VEGF. Recent work has established
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