CAS No.41078-02-8,ENPROFYLLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41078-02-8
Name:	ENPROFYLLINE
Article Data:	9

Formula:	C₈H₁₀N₄O₂
Molecular Weight:	194.193
Synonyms:	1H-Purine-2,6-dione,3,7-dihydro-3-propyl- (9CI);3-Propylxanthine;D 4028;Enprofylline;
EINECS:	255-201-8
Density:	1.367 g/cm³
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	83.54000
LogP:	-0.17710

Total:27 Page 1 of 1 1

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Specification

The 1H-Purine-2,6-dione,3,9-dihydro-3-propyl- is an organic compound with the formula C₈H₁₀N₄O₂. The IUPAC name of this chemical is 3-propyl-7H-purine-2,6-dione. With the CAS registry number 41078-02-8, it is also named as 3,7-Dihydro-3-propyl-1H-purine-2,6-dione. The product's classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-asthmatic agents; Anti-inflammatory agents, non-steroidal; Antirheumatic Agents; Autonomic Agents; Bronchodilator; Bronchodilator agents; Drug / Therapeutic Agent; Peripheral Nervous System Agents; Respiratory System Agents; Sensory System Agents. Besides, it should be stored in a closed cool and dry place. It is the xanthine derivatives which is used as a potent inhibitor of phosphodiesterase.

Physical properties about 1H-Purine-2,6-dione,3,9-dihydro-3-propyl- are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.56; (7)ACD/KOC (pH 7.4): 33.44; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 58.44 Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 47.47 cm³; (14)Molar Volume: 141.9 cm³; (15)Polarizability: 18.82×10^-24cm³; (16)Surface Tension: 59.6 dyne/cm; (17)Density: 1.367 g/cm³.

Preparation: this chemical can be prepared by N-(6-amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-formamide. This reaction will need reagent 2 N aq. NaOH. The reaction time is 90 min by heating. The yield is about 85%.

Uses of 1H-Purine-2,6-dione,3,9-dihydro-3-propyl-: it can be used to produce 7-butyl-3-propyl-3,7-dihydro-purine-2,6-dione at ambient temperature. It will need reagent K₂CO₃ and solvent dimethylformamide with reaction time of 1 hour. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ncnc1C(=O)N2)CCC
(2)InChI: InChI=1/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
(3)InChIKey: SIQPXVQCUCHWDI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
(5)Std. InChIKey: SIQPXVQCUCHWDI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	157mg/kg (157mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Acta Pharmacologica et Toxicologica. Vol. 49, Pg. 313, 1981.
mouse	LD50	oral	254mg/kg (254mg/kg)		Pharmacological Research Communications. Vol. 22(Suppl,
rat	LD50	oral	481mg/kg (481mg/kg)		Pharmacological Research Communications. Vol. 22(Suppl,