| Identification | Back Directory | [Name]
1,3-dipropyl-8-(3-noradamantyl)xanthine | [CAS]
136199-02-5 | [Synonyms]
KW-3902
MK-7418
HMR-4902
Rolofylline
KW-3902 >=98% (HPLC)
1,3-dipropyl-8-(3-noradamantyl)xanthine
8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1,3-dipropyl- | [Molecular Formula]
C20H28N4O2 | [MDL Number]
MFCD00899862 | [MOL File]
136199-02-5.mol | [Molecular Weight]
356.46 |
| Chemical Properties | Back Directory | [Boiling point ]
578.0±42.0 °C(Predicted) | [density ]
1.262±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble20mg/mL | [form ]
solid | [pka]
9.23±0.70(Predicted) | [color ]
White to off-white | [InChI]
1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14-,20- | [InChIKey]
PJBFVWGQFLYWCB-OYEQCZOJSA-N | [SMILES]
CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@]34C[C@H]5C[C@H](C[C@@H]3C5)C4 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H413 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Chronic 4 |
| Hazard Information | Back Directory | [Description]
KW 3902 is an antagonist of the adenosine A1 receptor (Ki = 0.19 nM). It displays 890-fold selectivity for A1 receptors over A2A receptors and has no activity at A3 receptors. KW 3902 less potently inhibits human organic anion transporter 1 (OAT1; Ki = 7.82 μM). KW 3902 exhibits renal protective effects during hypoxemia in rabbits. | [Uses]
KW 3902 is an adenosine A1-receptor antagonist, which has recently been shown to alleviate axonopathy caused by human Tau ΔK280. KW 3902 can be considered for the development of a treatment towards hypometabolism and neuronal dysfunction associated with Tau-induced neurodegenerative diseases. | [Definition]
ChEBI: Rolofylline is an oxopurine. | [storage]
Store at +4°C | [References]
[1] JUNICHI SHIMADA. 8-Polycycloalkyl-1,3-dipropylxanthines as potent and selective antagonists for A1-adenosine receptors[J]. Journal of Medicinal Chemistry, 1992, 35 5: 924-930. DOI: 10.1021/jm00083a018
[2] HIROMI NONAKAY. KW-3902, a selective high affinity antagonist for adenosine A1 receptors[J]. British Journal of Pharmacology, 1996, 117 8: 1645-1652. DOI: 10.1111/j.1476-5381.1996.tb15335.x
[3] MICHIO TAKEDA. Characterization of organic anion transport inhibitors using cells stably expressing human organic anion transporters[J]. European journal of pharmacology, 2001, 419 2: Pages 113-120. DOI: 10.1016/s0014-2999(01)00962-1
[4] A NISHIYAMA. Adenosine A(1) receptor antagonist KW-3902 prevents hypoxia-induced renal vasoconstriction.[J]. Journal of Pharmacology and Experimental Therapeutics, 1999, 291 3: 988-993.
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| Company Name: |
Energy Chemical
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| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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